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184. J. Ma, A. Insausti, A. S. Hazrah, Y. Xu*, Deciphering the non-covalent interactions in the furan--hexane complex using rotational spectroscopy and theoretical analyses. J. Chem. Phys. 2023, 159, 134302/1-9. DOI: 10.1063/5.0166935.
183. A. S. Hazrah, A. Insausti, J. Ma, M. H. Al-Jabiri, W. Jäger*, Y. Xu*, Wetting vs droplet aggregation: A broadband rotational spectroscopic study of 3-methylcatechol?water clusters. Angew. Chem. Int. Ed. 2023, 62, e202310610; Angew. Chem. 2023, 135, e202310610. DOI: 10.1002/anie.202310610. 182. M. H. Al-Jabiri, A. S. Hazrah, A. Insausti, Y. Xu, W. Jäger, Rotational spectroscopic studies of para-nitrobenzoic acid, para-aminobenzoic acid, para-chlorobenzoic acid, and para-hydroxybenzoic acid. J. Mol. Spectrosc. 2023, 394, 111790/1-7.
181. A. N. Mort, F. Xie, A. S. Hazrah, Y. Xu*, Rotational spectroscopy of hydrogen-bonded binary trifluoropropanol conformers: conformational diversity, preference and abundances in a jet expansion. Phys. Chem. Chem. Phys. 2023, 25, 16264 16272.180. M. Alshalalfeh, N. Sun, A. H. Moraes, A. P. A. Utani, Y. Xu*, Conformational distributions of phenyl -D-glucopyranoside and gastrodin in solution by vibrational optical activity and theoretical calculations. Molecules 2023, 28, 4013/1-21. https://doi.org/10.3390/ molecules28104013.
179. A. S. Perera, C. D. Carlson, J. Cheramy, Y. Xu*, IR and VCD spectra of methyl- -D-glucopyranose in water: the application of the quantum cluster growth and clusters-in-a-liquid solvation models. Chirality 2023, 1-14. DOI: 10.1002/chir.23576.
178. G. Li, D. Li, M. Alshalalfeh, J. Cheramy, H. Zhang, Y. Xu*, Stereochemical properties of two Schiff-base Transition metal complexes and their ligand by using multiple chiroptical spectroscopic tools and DFT calculations. Molecules 2023, 28, 2571/1-22. https://doi.org/10.3390/molecules28062571.
177. A. N. Mort, Y. Xu*, Rotational spectra of singly substituted rare isotopologues of two conformers of 3,3,3-trifluoropropanol. J. Mol. Spectrosc. 2023, 392, 111745. (Colin M. Western Memorial Issue of Journal of Molecular Spectroscopy.)
176. Y. Yang, A. Krin, X. Cai, M. R. Poopari, Y. Zhang, J. R. Cheeseman, Y. Xu*, Conformations of steroid hormones: infrared and vibrational circular dichroism spectroscopy. Molecules 2023, 28, 771/1-22. https://doi.org/10.3390/molecules28020771.
175. Y. Yang, X. Sun, M. R. Poopari, C. Jian, H. Zeng*, T. Tang*, Y. Xu*, Chirality discrimination at binary organic/water interfaces by interfacial tension measurements and MD simulations. ChemPhysChem 2023, 24, e202200608. doi.org/10.1002/cphc.202200608.174. M. D. Marshall*, H. O. Leung, S. R. Domingos, A. Krin, M. Schnell, N. A. Seifert, Y. Xu, W. Jäger, Examining the gas-phase homodimers of 3,3,3-trifluoro-1,2-epoxypropane using quantum chemistry and microwave spectroscopy. Phys. Chem. Phys. Chem. 2022, 24, 28495-28505.
173. C. D. Carlson, A. S. Hazrah, D. Mason, Q. Yang, N. A. Seifert, Y. Xu*, Alternating 1-phenyl-2,2,2-trifluroethanol conformation landscape with the addition of one water: conformations and large amplitude motions. J. Phys. Chem. A 2022, 126, 7250-7260.
172. J. Ma, A. Insausti, A. N. Mort, Y. Xu*, Rotation-tunneling spectra and barriers of isotopologues of 2,2,2-trifluoroethanol and 2,2,3,3,3-pentafluoropropanol. J. Mol. Spectrosc. 2022, 388, 111687/1-6. (Special issue Spectroscopic Investigation of Molecular Structures and/or Spectroscopy with Undergraduates. )
171. B. Wu, N. A. Seifert, S. Oswald, W. Jäger, Y. Xu*, Rotational Spectroscopy of the 2,2,3,3,3-Pentafluoropropanol water complex: conformations and large amplitude motions. ChemPhysChem 2022, 23, e202200348. doi.org/10.1002/cphc.202200348.170. B. Wu, N. A. Seifert, A. Insausti, J. Ma, S. Oswald, W. Jäger, Y. Xu*, 2,2,3,3,3-pentafluoro-1-propanol and its dimer: structural diversity, conformational conversion, and tunneling motion. Phys. Chem. Chem. Phys. 2022, 24, 14975-14984.
169. Q. Yang, C. D. Carlson, W. Jäger, Y. Xu*, Conformational landscape of the hydrogen-bonded 1-phenyl-2,2,2-trilfuoroethanol 1,4-dioxane complex: dispersion interactions and conformational conversion. J. Phys. Chem. A 2022, 126, 2942-2949.
168. A. Insausti, J. Ma, Q. Yang, F. Xie, Y. Xu*, Rotational spectroscopy of 2-furoic acid and its dimer: conformational distribution and double proton tunneling. ChemPhysChem. 2022, 23, e202200176. doi.org/10.1002/cphc.202200176.
167. Y. Yang, J. Cheramy, M. Brehm*, Y. Xu*, Raman optical activity of N-acetyl-L-cysteine in water and in methanol: the clusters-in-a-liquid model and ab Initio molecular dynamics simulations. ChemPhysChem 2022, 23 e202200161. doi.org/10.1002/cphc.202200161.166. G. Li, M. Alshalalfeh, J. Kapitan, P. Bour, Y. Xu*, Electronic circular dichroism-circularly polarized Raman (eCP-Raman): a new form of chiral Raman spectroscopy. Eur. J. Chem. 2022, 28, e202104302. doi.org/10.1002/chem.202104302.
165. H. Wang, M. Heger, M. H. Al-Jabiri, Y. Xu*, Vibrational spectroscopy of homo- and heterochiral amino acid dimers: conformational landscapes. Molecules, 2022, 27, 38/1-19. https://doi.org/10.3390/molecules27010038.
164. B. Wu, A. S. Hazrah, N. A. Seifert, S. Oswald, W. Jäger, Y. Xu*, Higher-energy hexafluoroisopropanol water isomer and its large amplitude motions: rotational spectra and DFT calculations. J. Phys. Chem. A, 2021, 125, 10401-10409.
163. G. Li, M. Alshalalfeh, Y. Yang, J. R. Cheeseman, P. Bour*, Y. Xu*, Can one measure resonance Raman optical activity? Angew. Chem. Int. Ed. 2021, 60, 22004-22009; Angew. Chem. 2021, 133, 22175-22180. 162. S. Izadnia, A. C. LaForge, F. Stienkemeier*, J. R. Cheeseman, J. Bloino, J. Cheramy, W. Jäger,Y. Xu*, Unusual binary aggregates of perylene bisimide revealed by their electronic transitions in helium nanodroplets and DFT calculations. Phys. Chem. Chem. Phys. 2021, 23, 13862-13872.
161. B. Wu, N. A. Seifert, S. Oswald, W. Jäger, Y. Xu*, Rotational spectrum and molecular structures of the binary aggregates of 1,1,1,3,3,3-hexafluoro-2-propanol with Ne and Ar. J. Phys. Chem. A 2021, 125, 5355-5364.
160. Y. Yang, J. Cheramy, Y. Xu*, Matrix Isolation-vibrational circular dichroism spectroscopic study of conformations and non-covalent interactions of tetrahydro-2-furoic acid. ChemPhysChem, 2021, 22, 1336-1343.
159. Fan Xie, Sethupathy Mahendiran, Nathan A. Seifert, Yunjie Xu*, Modifying conformational distribution of chiral tetrahydro-2-furoic acid through its interaction with water: a rotational spectroscopic and theoretical investigation, Phys. Chem. Chem. Phys. 2021, 23, 3820-3825.
158. Fan Xie, Nathan A. Seifert, Arsh S. Hazrah, Wolfgang Jäger, Yunjie Xu*, Conformational Landscape, Chirality Recognition and Chiral Analyses: Rotational Spectroscopy of Tetrahydro-2-Furoic Acid Propylene Oxide Conformers. ChemPhysChem 2021, 22, 455-460.
157. Qian Yang, Fan Xie, Tao Lu, Nina Bui, Wolfgang Jäger, Yunjie Xu*, Hydrogen bonding interactions in the 1,1,1,3,3,3-hexafluoro-2-propanol 1,4-dioxane complex: Rotational spectroscopy and density functional theory calculations , J. Mol. Spectrosc. 2021, 376, 111408/1-6.
156. Tao Wu, Guojie Li, Josef Kapit n*, Jir Kessler, Yunjie Xu* and Petr Bour*, Two Spectroscopies in One: Interference of Circular Dichroism and Raman Optical Activity ,
Angew. Chem. Int. Ed. 2020, 59, 21895-21898. DOI:10.1002/anie.202011146.(open access).VIP COVER.From the time of Louis Pasteur circular polarized light has been finding many applications in chemical analysis and spectroscopy. In their Communication on page 21895, J. Kapit n, Y. Xu, P. Bour et al. report another modality, interference of Raman optical activity and circular dichroism, occurring during measurements of transition-metal complexes. The chirality of the complex can be detected in the Raman scattering of the solvent; the effect is strong and may find applications in the detection of chiral compounds.
ChemistryViews Highlight Link.
155. Bowei Wu, Fan Xie, Yunjie Xu*, The Pyrrole-Water Complex: Multidimensional Large Amplitude Dynamics and Rotational Spectra of its 13C Isotopologues , J. Mol. Spectrosc. 2020, 374, 111381/1-8.
154. Javix Thomas, Isabel Pe a*, Colton Carlson, Yisi Yang, Wolfgang Jäger, Yunjie Xu*, Structural and Dynamical Features of the 2,2,2-Trifluoroethanol Ammonia Complex , Phys. Chem. Chem. Phys., 2020, 22, 23019-23027. 2020 PCCP Hot Paper.
153. Fan Xie, Marco Fus , Arsh S. Hazrah, Wolfgang Jäger, Vincenzo Barone*, Yunjie Xu*, "Discovering the elusive global minimum in a ternary chiral cluster: rotational spectra of propylene oxide trimer , Angew. Chem. Int. Ed. 2020, 59, 22427-22430. DOI:10.1002/anie.202010055. Hot Paper.
152. Fan Xie, Nathan A. Seifert, Wolfgang Jäger, Yunjie Xu*, "Conformational Panorama and Chirality Controlled Structure-Energy Relationship in a Chiral Carboxylic Acid Dimer , Angew. Chem. Int. Ed. 2020, 59, 15703-15710; Angew. Chem. 2020, 132,15833-15840. DOI:10.1002/anie.202005685.Hot Paper.
150. Guojie Li, J. Kessler, Joseph Cheramy, Tao Wu, Mohammad Reza Poopari, Petr Bour*, Yunjie Xu*, "Transfer and amplification of chirality within the Ring of Fire observed in resonance Raman optical activity experiments , Angew. Chem. Int. Ed. 2019, 58, 16495-16498; Angew. Chem. 2019, 131, 16647-16650.DOI:10.1002/anie.201909603.Hot Paper.
149. Alberto Macario, Susana Blanco*, Javix Thomas, Yunjie Xu, Juan Carlos Lo pez*, Conformational landscape of m-anisic acid and its complexes with formic acid , J. Phys. Chem. A 2019, 123, 6772-6780.
148. Fan Xie, Nathan A. Seifert, Matthias Heger, Javix Thomas, Wolfgang Jäger, Yunjie Xu*, The rich conformational landscape of perillyl alcohol revealed by broadband rotational spectroscopy and theoretical modelling , Phys. Chem. Chem. Phys. 2019, 21, 15408-15416. 2019 Hot PCCP Article.
147. Alberto Macario, Susana Blanco*, Javix Thomas, Yunjie Xu, Juan Carlos Lopez*, Competition between intra- and intermolecular hydrogen bonding: o-anisic acid formic acid heterodimer , Eur. J. Chem. 2019, 25, 12325-12331. Hot Paper, Cover Feature.
146. S nke Oswald, Nathan A. Seifert, Fabian Bohle, Maxim Gawrilow, Stefan Grimme, Wolfgang Jäger, Yunjie Xu*, and Martin A. Suhm*, "The chiral trimer and a metastable chiral dimer of achiral hexafluoroisopropanol: a multi-messenger study", Angew. Chem. Int. Ed. 2019, 58, 5080-5084; Angew. Chem. 2019, 131, 5134-5138.
145. Angelo S. Perera, Joseph Cheramy, M. Reza Poopari, Yunjie Xu*, Aggregation of lactic acid in cold rare-gas matrices and the link to solution: a matrix isolation-vibrational circular dichroism study , Phys. Chem. Chem. Phys. 2019, 21, 3574-3584.
144. Nathan. A. Seifert, Javix Thomas, Wolfgang Jäger, Yunjie Xu*, Rotational spectra and theoretical study of tetramers and trimers of 2-fluoroethanol: dramatic intermolecular compensation for intramolecular instability , Phys. Chem. Chem. Phys. 2018, 20, 27630-27637.
143. Fan Xie, Xiaoqian Ng, Nathan A. Seifert, Javix Thomas, Wolfgang Jäger, Yunjie Xu*, Rotational spectroscopy of chiral tetrahydro-2-furoic acid: conformational landscape, conversion, and abundances , J. Chem. Phys. 2018, 149, 224306/1-10. Editor s Pick.
142. Javix Thomas, Michael J. Carrillo, Agapito Serrato III, Fan Xie, Wolfgang Jäger*, Yunjie Xu*, Wei Lin*, Microwave spectrum of the complex of 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid and formic acid , Mol. Phys. 2019, 117, 1193-1199.
141. Leo Y. Li, Nathan A. Seifert, Fan Xie, Matthias Heger, Yunjie Xu, Wolfgang Jäger*, A spectroscopic and ab initio study of the hydrogen peroxide formic acid complex: hindering the internal motion of H2O2 , Phys. Chem. Chem. Phys. 2018, 20, 21345-21351.
140. Matthias Heger, Joseph Cheramy, Fan Xie, Zhihao Chen, Yunjie Xu*, Structural and energetic properties of protonated and sodiated asparagine probed by a new laboratory IRMPD spectrometer , J. Mol. Spectrosc. 2018, 352, 36-44.
139. Colton D. Carlson, Nathan A. Seifert, Matthias Heger, Fan Xie, Javix Thomas, Yunjie Xu*, Conformational dynamics of 1-phenyl-2,2,2-trifluoroethanol by rotational spectroscopy and ab initio calculations , J. Mol. Spectrosc. 2018, 351, 62-67.
138. Angelo S. Perera, Joseph Cheramy, Christian Merten, Javix Thomas, Yunjie Xu*, IR, Raman, and vibrational optical activity spectra of methyl glycidate in chloroform and water: the clusters-in-a-liquid solvation model , ChemPhysChem 2018, 19, 2234 2242. VIP. DOI:10.1002/cphc.201800309.
Featured in New Approach for Modeling Solvent Effects , ChemViews, 02 July, 2018.
137. Brooks H. Pate, Luca Evangelisti, Walther Caminati, Yunjie Xu, Javix Thomas, David Patterson, Cristobal Perez, Melanie Schnell, Quantitative chiral analysis by molecular rotational spectroscopy , in Chiral Analysis, 2e Advances in Spectroscopy, Chromatography and Emerging Methods 2018, 679-729, ed. P. L. Polavarapu, Elsevier.
136. Ningjie Sun,, Xiaoli Cai, Yuefei Zhang, Ru-an Chi*, Yunjie Xu*, The conformation of sophocarpidin by vibrational circular dichroism and DFT calculations , Spectrosc. Spectral Anal. (in Chinese) 2018, 38, 2806-2813.
135. Jason T. A. Gall, Javix Thomas, Fan Xie, Zhibo Wang, Wolfgang Jäger, Yunjie Xu*, Rotational spectroscopy of the methyl glycidate water complex: conformation and water and methyl rotor tunnelling motions , Phys. Chem. Chem. Phys. 2017, 19, 29508-29515.
134. Wenyuan Huang, Javix Thomas, Wolfgang Jäger, Yunjie Xu*, "Tunnelling and barrier-less motions in the 2-fluoroethanol-water complex: a rotational spectroscopic and ab initio study", Phys. Chem. Chem. Phys. 2017, 19, 12221-12228. DOI: 10.1039/C7CP01666B. This article is part of the themed collection: CSC100: Celebrating Canadian Chemistry
133. Javix Thomas, Michael J. Carrillo, Agapito Serrato III, Wei Lin*, Wolfgang Jäger*, Yunjie Xu*, "Rotational spectroscopic and theoretical study of the perfluorobutyric acid--formic acid complex", J. Mol. Spectrosc. 2017, 335, 88-92. DOI: 10.1016/j.jms.2017.03.015. (Caminati Special Issue)
Pub 132 is featured as a Research Highlight in Nature Review Chemistry, 22 Mar 2017, DOI: 10.1038/s41570-017-0033.
Javix Thomas, Nathan A. Seifert, Wolfgang Jäger, Yunjie Xu*, "A direct link from the gas to the condensed phase: A rotational spectroscopic study of 2,2,2-trifluoroethanol trimers", Angew. Chem. 2017, 129, 6386 6390. DOI: 10.1002/ange.201612161.
131. Javix Thomas, Eric Mariona, Yunjie Xu*, "Rotational spectra of two six-membered heterocyclic N-methyl-piperidinol compounds: Conformations by OH rotation, N-methyl inversion, and ring puckering", J. Chem. Phys. 2017, 146, 104303/1-8. DOI: 10.1063/1.4977895.
130. Elijah G. Schnitzler, Nathan A. Seifert, Supriya Ghosh, Javix Thomas, Yunjie Xu, Wolfgang Jäger*, "Hydration of the simplest a-keto acid: a rotational spectroscopic and ab initio study of the pyruvic acid water complex", Phys. Chem. Chem. Phys. 2017, 19, 4440-4446. DOI: 10.1039/c6cp08741h.
129. Javix Thomas, Michael J. Carrillo, Agapito Serrato III, Elijah G. Schnitzler, Wolfgang Jäger*, Yunjie Xu*, Wei Lin*, "Conformational Analysis of 3,3,3-Trifluoro-2-(trifluoromethyl)propanoic Acid", Chem. Phys. Lett. 2016, 661, 210-214. DOI: 10.1016/j.cplett.2016.08.077.
128. Jiao Gao, Nathan A. Seifert, Javix Thomas, Yunjie Xu, Wolfgang Jäger*, "Structure and internal rotation dynamics of the acetone-neon complex studied by microwave spectroscopy", J. Mol. Spectrosc. 2016, 330, 228-235. (Bob LeRoy special issue).DOI: 10.1016/j.jms.2016.09.006.
127. Xunchen Liu, Dan Hou, Javix Thomas, Hui Li*, Yunjie Xu*, "Ro-vibrational spectrum of H2O-Ne in the v2 H2O bending region: a combined ab initio and experimental investigation", J. Mol. Spectrosc. 2016, 330, 236-247. (Bob LeRoy special issue). DOI: 10.1016/j.jms.2016.08.011.
126. Mohammad Reza Poopari, Zahra Dezhahang, Yunjie Xu*, "Stereochemical properties of multi-dentate nitrogen donor ligands and their copper complexes by electronic CD and DFT", Chirality 2016, 28, 545-555. DOI: 10.1002/chir.22615.
125. Xiaoli Cai, Yuefei Zhang, Junxia Yu, Yunjie Xu, Ru-an Chi, "Absolute configuration and conformation of sophocarpine by vibrational circular dichroism", J. Wuhan Inst. Tech. (in Chinese) 2016, 38, 103-108. DOI: 10. 3969/j. issn. 1674-2869. 2016. 02. 001. 124. Yuefei Zhang, Mohammad Reza Poopari, Xiaoli Cai, Aliaksandr Savin, Zahra Dezhahang, Joseph Cheramy, Yunjie Xu*, "IR and vibrational circular dichroism spectroscopy of matrine- and artemisinin-type herbal products: stereochemical characterization and solvent effects", J. Nat. Prod. 2016, 79 (4), 1012 1023. DOI: 10.1021/acs.jnatprod.5b01082 .
123. Angelo S. Perera, Javix Thomas, Mohammad Reza Poopari, Yunjie Xu*, "The clusters-in-a-liquid approach for solvation: new insights from the conformer specific gas phase spectroscopy and vibrational optical activity spectroscopy", Front. Chem. 2016, 4, 1-17. (open access) DOI: 10.3389/fchem.2016.00009.
122. Jagadeeshwari Manne, Yunjie Xu, Wolfgang Jäger, "Wavelength modulation spectroscopy with a distributed feedback, pulsed and continuous wave quantum cascade lasers: a comparison", Int. J. Ad. Sci. Eng. Tech. 2015, 4, 36-41. ISSN: 2321-9009.
121. Javix Thomas, Xunchen Liu, Wolfgang Jäger, Yunjie Xu*,
"Unusual H-bond topology and bifurcated H-bonds in the 2-fluoroethanol trimer", Angew. Chem. Int. Ed. 2015, 54, 11711-11715. VIP.
DOI: 10.1002/anie.201505934.
120. Supriya Ghosh, Javix Thomas, Wenyuan Huang, Yunjie Xu*, Wolfgang Jäger*, "Rotational spectra of two hydrogen-bonded methyl salicylate monohydrates: relative stability and tunneling motions", J. Phys. Chem. Lett. 2015, 6, 3126 3131. DOI:10.1021/acs.jpclett.5b01220.
118. Zahra Dezhahang, Mohammad Reza Poopari, Joseph Cheramy, Yunjie Xu*, "Conservation of helicity in a chiral pyrrol-2-yl Schiff-base ligand and its transition metal complexes", Inorg. Chem. 2015, 54, 4539-4549. DOI:10.1021/acs.inorgchem.5b00386.
116. Mohammad Reza Poopari, Zahra Dezhahang, Ke Shen, Lei Wang, Todd L. Lowary, Yunjie Xu*, "Absolute configuration and conformation of two Fr ter-Seebach alkylation reaction products by film VCD and ECD spectroscopic analyses", J. Org. Chem. 2015, 80, 428-437. DOI:10.1021/jo502438a.
115. Javix Thomas, Yunjie Xu*, "Structure and tunneling dynamics in a model system of peptide co-solvents: rotational spectroscopy of the 2,2,2-trifluoroethanol water complex", J. Chem. Phys. 2014, 140, 234307/1-5. 30 day free access by JCP DOI: 10.1063/1.4883518.
114. Christian Merten*, Christopher J. Berger, Robert McDonald, Yunjie Xu*, "Unique VCD signatures of dihydrogen bonding of a
chiral amine borane complex in solution", Angew. Chem. Int. Ed. 2014, 53, 9940 9943.
DOI: 10.1002/anie.201403690. 
113. Zahra Dezhahang, Mohammad Reza Poopari, Florencio Eloy Hern ndez, Carlos Diaz, Yunjie Xu*, "Diastereomeric preference of a triply axial chiral binaphthyl based molecule: a concentration dependent study by chiroptical spectroscopies", Phys. Chem. Chem. Phys. 2014, 16, 12959-12967. DOI:10.1039/c4cp01704h.
112. Javix Thomas, Wolfgang J ger, Yunjie Xu*, "Chirality induction and amplification in the 2,2,2-Trifluoroethanol propylene oxide adduct",
Angew. Chem. Int. Ed. 2014, 53, 7277 7280.
DOI: 10.1002/anie.201403838. Javix Thomas, Wolfgang Jäger, Yunjie Xu*, Angew. Chem. 2014, 126, 7405 7408. DOI: 10.1002/ange.201403838.
111. Javix Thomas, Yunjie Xu*,"Chirality Synchronization in Trifluoroethanol Dimer Revisited: The Missing Heterochiral Dimer", J. Phys. Chem. Lett. 2014, 5, 1850 1855. DOI: 10.1021/jz500718f.
109. Christian Merten*, Robert McDonald, Yunjie Xu*, "Strong solvent-dependent preference of delta- and lambda-stereoisomers of a tris(diamine) nickel(II) complex revealed by vibrational circular dichroism spectroscopy", Inorg. Chem. 2014, 53, 3177-3182. DOI: 10.1021/ic4031766.
107. Christian Merten*, Fee Li, Kenny Bravo-Rodriguez, Elsa Sanchez-Garcia, Yunjie Xu*, Wolfram Sander, "Solvent-induced conformational changes in cyclic peptides: A vibrational circular dichroism study ", Phys. Chem. Chem. Phys. 2014, 16, 5627-5633. DOI: 10.1039/C3CP55018D.
106. Javix Thomas, Oleksandr Sukhorukov, Wolfgang Jäger, Yunjie Xu*, "Direct spectroscopic detection of unique free OH orientation in methyl lactate--(water)1,2
clusters: hydration of a chiral hydroxy ester", Angew. Chem. Int. Ed. 2014, 53, 1156 1159. DOI: 10.1002/anie.201308466. Javix Thomas, Oleksandr Sukhorukov, Wolfgang Jäger, Yunjie Xu*, "Direkter spektroskopischer Nachweis bestimmter Orientierungen freier OH-Gruppen in Methyllactat--(Wasser)1,2 Clustern: Hydratation eines chiralen Hydroxyesters", Angew. Chem. 2014, 126, 1175 1178. DOI: 10.1002/ange.201308466.
105. Christian Merten, Julien Bloino, Vincenzo Barone, Yunjie Xu*, "Anharmonicity Effects in the Vibrational CD Spectra of Propylene
Oxide", J. Phys. Chem. Lett. 2013, 4, 3424 3428. DOI: 10.1021/jz401854y.104. Mohammad Reza Poopari, Zahra Dezhahang, Yunjie Xu*, "Identifying dominant conformations of N-acetyl-L-cysteine methyl ester and N-acetyl-L-cysteine in water: VCD signatures of the amide I and the C=O stretching bands", Spectrochimica Acta Part A: Mol. Biomol. Spectrosc. 2013, 136, 131 140. DOI: 10.1016/j.saa.2013.08.118. (Invited for the Benjamin J. (van der Veken Special Issue).
103. Christian Merten, Yunjie Xu*, "A comparative vibrational CD study of homo- and heteroleptic complexes of the type [Cu(trans-1,2-diaminocyclohexane)2L](ClO4)2", Dalton Trans. 2013, 42, 10572 10578. DOI: 10.1039/C3DT50459J.
102. Javix Thomas, Jensen Yiu, Johannes Rebling, Wolfgang Jäger, Yunjie Xu*, "Chirped-pulse and cavity based Fourier transform microwave spectroscopy of a chiral epoxy ester: methyl glycidate", J. Phys. Chem. A. 2013, 117, 13249 13254. DOI: jp402552t. (Invited for the Terry Miller Special Issue).
101. Javix Thomas, Oleksandr Sukhorukov, Wolfgang Jäger, Yunjie Xu*,
"Chirped pulse and cavity based FTMW spectra of the methyl lactate-ammonia adduct: lock and key selectivity and internal rotation motions
", Angew. Chem. Int. Ed. 2013, 52, 4402 4405. DOI: 10.1002/anie.201300707.Javix Thomas, Oleksandr Sukhorukov, Wolfgang Jäger, Yunjie Xu*, "Chirped pulse and cavity based FTMW spectra of the methyl lactate-ammonia adduct: lock and key selectivity and internal rotation motions ", Angew. Chem. 2013, 125, 4498 4501. DOI:. 10.1002/anie.201300707.
100. Zahra Dezhahang, Mohammad Reza Poopari, Yunjie Xu*,
"Vibrational circular dichroism spectroscopy of three multidentate nitrogen donor ligands: Conformational flexibility and solvent effects
", Chem. Asian J. 2013, 8, 1205 1212. DOI: 10.1002/anie.201300707. (Featured on the inside cover of June 8 issue).
Christian Merten, Yunjie Xu*, "Chirality transfer in the methyl lactate-ammonia complex observed by matrix-isolation vibrational circular dichroism spectroscopy", Angew. Chem. 2013, 125, 2127 2130. DOI: 10.1002/anie.201300707.
96. Christian Merten, Myung Ho Hyun, Yunjie Xu*, "Absolute configuration and
predominant conformations of a chiral crown ether-based colorimetric sensor: A vibrational circular
dichroism spectroscopy and DFT study of chiral recognition", Chirality 2013, 25, 294 300.
DOI: 10.1002/chir.22147
95. Mohammad Reza Poopari, Peiyan Zhu, Zahra Dezhahang, Yunjie Xu*, "Vibrational absorption and vibrational circular dichroism spectra of leucine in water under different pH conditions: hydrogen-bonding interactions with water", J. Chem. Phys., 2012, 137, 194308/1-7, DOI: 10.1063/1.4767401.
94. Christian Merten, Yunjie Xu*, "Matrix isolation vibrational circular dichroism spectroscopy of 3-butyn-2-ol and its binary aggregates", ChemPhysChem. 2013,14, 213 219. DOI: 10.1002/cphc.201200758 VIP announcement, Oct 5, 2012.
92. Zahra Dezhahang, Christian Merten, Mohammad Reza Poopari, Yunjie Xu*, "Vibrational circular dichroism spectroscopy of two
chiral binaphthyl diphosphine ligands and their palladium complexes in solution", Dalton Trans.
2012, 41 (35), 10817 10824. DOI: 10.1039/c2dt31184d.
90. Zahra Dezhahang, Mohammad Reza Poopari, Yunjie Xu*, "Conformations of [(R,R)-1,5-diaza-cis-decalin] copper (II) complex and its hydrogen bonding interaction with the crystal water: A combined experimental VA, UV-Vis and ECD spectroscopic and DFT study", J. Mol. Struct. 2012, 1024, 123 131. DOI: 10.1016/j.molstruc.2012.04.079. 89. Mohammad Reza Poopari, Zahra Dezhahang, Guochun Yang, Yunjie Xu*, "Conformational Distributions of N-Acetyl-l-cysteine in Aqueous Solutions: A Combined Implicit and Explicit Solvation Treatment of VA and VCD Spectra", ChemPhysChem 2012, 13, 2310 2321. DOI: 10.1002/cphc.201200152. 88. Peiyan Zhu, Guochun Yang, Mohammad Reza Poopari, Zhi Bie,, Yunjie Xu*, "Conformations of Serine in Aqueous Solutions as Revealed by Vibrational Circular Dichroism", ChemPhysChem 2012, 13, 1272 1281. DOI: 10.1002/cphc.201101003.
87. Fumie X. Sunahori, Nicole Borho, Xunchen Liu, Yunjie Xu*, "High-resolution infrared spectrum of jet-cooled methyl acetate in the C=O stretching region: Internal rotations of two inequivalent methyl tops", J. Chem. Phys. 2011, 135, 234310/1 8. DOI: 10.1063/1.3668140. 86. Xunchen Liu, Yunjie Xu*, "Infrared and microwave spectra of the acetylene ammonia and carbonyl sulfide ammonia complexes: a comparative study of a weak C H...N hydrogen bond and an S...N bond", Phys. Chem. Chem. Phys. 2011, 13, 14235 14242. DOI: 10.1039/c1cp21554j.
85.Chrissy J. Knapp, Yunjie Xu, and Wolfgang Jäger, "Rotational Spectra of Minor Isotopologues of 4HeN-N2O (N=3-19) Clusters", J. Mol. Spectrosc. 2011, 268, 130 135. DOI: 10.1016/j.jms.2011.04.007. (Special Issue in Honor of Drs. A.R.W.McKellar and P.R. Bunker, Eds. Xu and Jäger
84. Kai Brendela, Heinrich M der,Wolfgang Jäger, and Yunjie Xu, "The rotational spectra of the fluorobenzene water and p-difluorobenzene water dimers: Structure and internal dynamics" J. Mol. Spectrosc. 2011, 268, 47 52. DOI: 10.1016/j.jms.2011.03.032. (Special Issue in Honor of Drs. A.R.W.McKellar and P.R.Bunker, Eds. Xu and Jäger) 83. Javix Thomas, Fumie X. Sunahori, Nicole Borho, Yunjie Xu*, Chirality recognition in the glycidol propylene oxide complex: a rotational spectroscopic study", Chem. Eur. J. 2011, 17, 4582 4587. DOI: 10.1002/chem.201003536.
82. Xunchen Liu, Yunjie Xu*, Zheng Su, Wai Shun Tam, Igor Leonov, Jet-cooled infrared spectra of molecules and complexes with a cw mode-hop-free external-cavity QCL and a distributed-feedback QCL", Applied Physics B. 2011, 102, 629 639. DOI: 10.1007/s00340-010-4147-y.
79. P. L. Raston, Y. Xu, W. Jäger, A. V. Potapov, L. A. Surin, B. S. Dumesh, S. Schlemmer, Rotational Study of Carbon Monoxide Isotopologues in Small 4He Clusters , Phys. Chem. Chem. Phys. 2010, 12, 8260 8267. DOI: 10.1039/C0CP00193G. 78. Guochun Yang, Jing Li, Yang Liu, Todd L. Lowary, Yunjie Xu*, Determination of the Absolute Configurations of Bicyclo[3.1.0] hexane Derivatives via Electronic Circular Dichroism, Optical Rotation Dispersion and Vibrational Circular Dichroism Spectroscopy and Density Functional Theory Calculations , Org. Biomol. Chem. 2010, 8, 3777 3783. DOI: 10.1039/C002655G. 77. Guochun Yang, Yunjie Xu*, Jianbo Hou, Hui Zhang, and Yufen Zhao, Diastereomers of the Pentacoordinate Chiral Phosphorus Compounds in Solution: Absolute Configurations and Predominant Conformations , Dalton Transactions 2010, 39, 6953 6959. DOI: 10.1039/C001872D. 76. Fumie X. Sunahori, Zheng Su, Cheolhwa Kang, Yunjie Xu*, Infrared diode laser spectroscopic investigation of four C-H stretching vibrational modes of propylene oxide , Chem. Phys. Lett. 2010, 494, 14 20. DOI: 10.1016/j.cplett.2010.05.072.
75. Yang Liu, Guochun Yang, Martin Losada, Yunjie Xu*, Vibrational absorption, vibrational circular dichroism, and theoretical studies of methyl lactate self-aggregation and methyl lactate-methanol intermolecular interactions , J. Chem. Phys. 2010, 132, 234513/1 11. DOI: 10.1063/1.3431540.
74. Guochun Yang, Yunjie Xu*, Jianbo Hou, Hui Zhang, Yufen Zhao*, Determination of the Absolute Configurations of the Pentacoordinate Chiral Phosphorus Compounds in Solution Using Vibrational Circular Dichroism Spectroscopy and Density Functional Theory , Chem. Eur. J. 2010, 16, 2518 2527. DOI: 10.1002/chem.200902501.
73. Guochun Yang, Ha Tran, Eric Fan, Wei Shi, Todd L. Lowary, Yunjie Xu*, Determination of the Absolute Configurations of Synthetic Daunorubicin Analogues Using Vibrational Circular Dichroism Spectroscopy and Density Functional Theory , Chirality 2010, 22, 734 743. DOI: 10.1002/chir.20825.
72. Xunchen Liu, Yunjie Xu*, High resolution microwave spectroscopy of chiral molecular contact pairs , Chiral Recognition in the Gas Phase, Ed. A. Zehnacker, CRC Press, Taylor&Francis Group, 2010 (Invited refereed bookchapter). DOI: 10.1201/9781420082289-c2.
71. Guochun Yang and Yunjie Xu*, Probing chiral solute-water hydrogen bonding networks by chirality transfer effects: a vibrational circular dichroism study of glycidol in water , J. Chem. Phys. 2009, 130, 164506/1 9. DOI: 10.1063/1.3116582.
This paper has been selected for the May 1, 2009 issue of Virtual Journal of Biological Physics Research. The Virtual Journal, which is published by the American Physical Society and the American Institute of Physics in cooperation with numerous other societies and publishers, is an edited compilation of links to articles from participating publishers, covering a focused area of frontier research. 70. Yunjie Xu*, Xunchen Liu, Zheng Su, Raviraj M. Kulkarni, Wai Shun Tam, Cheolhwa Kang, Igor Leonov, Lisa D'Agostino, Application of quantum cascade lasers for infrared spectroscopy of jet-cooled molecules and complexes , Proc. SPIE 2009, 7222 Quantum Sensing and Nanophotonic Devices VI, 722208/1 11. (Invited paper). DOI: 10.1117/12.814878.
69. Xunchen Liu, Nicole Borho, Yunjie Xu*, Molecular Self-Recognition: Rotational Spectra of the Binary 2-Fluoroethanol Conformers , Chem. Eur. J. 2009, 15, 270 277. DOI: 10.1002/chem.200802028.
68. L. A. Surin, A. V. Potapov, B. S. Dumesh, S. Schlemmer, Y. Xu, P. L. Raston, W. Jäger, Rotational Study of Carbon Monoxide Solvated with Helium Atoms , Phys. Rev. Lett. 2008, 101, 233401/1 4. DOI: 10.1103/PhysRevLett.101.233401.
67. Guochun Yang, Yunjie Xu*, The effects of self-aggregation on the vibrational circular dichroism and optical rotation measurements of glycidol , Phys. Chem. Chem. Phys. 2008,10, 6787 6795. DOI: 10.1039/B810886B.
66. Martin Losada, Phuong Nguyen, Yunjie Xu*, Structural Solvation of Propylene Oxide in Water: Vibrational Circular Dichroism, Optical Rotation, and Computer Simulation Studies , J. Phys. Chem. A 2008, 112, 5621 5627. DOI: 10.1021/jp801996m.
65. Yunjie Xu, Wolfgang Jäger, "Isotopic Studies of the Binary Complex He-OCS", J. Mol. Spectrosc. 2008, 251, 326 329. (Special issue in honor of H. M. Pickett and E. A. Cohen of Jet Propulsion Laboratory, CalTech). DOI: 10.1016/j.jms.2008.03.023.
64. Nicole Borho, Yunjie Xu*, Tailoring the key in a molecular lock-and-key model system: the propylene oxide 2-fluoroethanol complex , J. Am. Chem. Soc. 2008, 130(18), 5916 5921. DOI: 10.1021/ja0783411.
63. Martin Losada, Ha Tran, Yunjie Xu*, Lactic acid in solution: investigations of lactic acid self-aggregation and hydrogen bonding interactions with water and methanol using VA and VCD spectroscopy , J. Chem. Phys. 2008, 128, 014508/1 11. DOI: 10.1063/1.2806192.
This paper has been selected for the January 15, 2008 issue of Virtual Journal of Biological Physics Research. The Virtual Journal, which is published by the American Physical Society and the American Institute of Physics in cooperation with numerous other societies and publishers, is an edited compilation of links to articles from participating publishers, covering a focused area of frontier research.
62. Yunjie Xu, Wolfgang Jäger, 2008, Microwave Rotational Spectroscopy , in Encyclopedia of Inorganic Chemistry, ed R. H. Crabtree, John Wiley: Chichester. DOI: 10.1002/9781119951438.eibc02923. Published 15 March 2008.
61. Zheng Su, Yunjie Xu*, "Hydration of a chiral molecule: the gas phase study of the propylene oxide (water)2 ternary cluster",
Angew. Chem. Int. Ed. 2007, 46, 6163 6166. (VIP), DOI: 10.1002/anie.200701966.
private reprint pub_61Zheng Su, Yunjie Xu*, "Hydration of a chiral molecule: the gas phase study of the propylene oxide (water)2 ternary cluster", Angew. Chem. 2007, 119, 6275 6278. VIP, DOI: 10.1002/ange.200701966.
60. Nicole Borho, Yunjie Xu*, "Molecular recognition in 1:1 hydrogen-bonded complexes of oxirane and trans-2,3-dimethyloxirane with ethanol: a rotational spectroscopic and ab initio study", Phys. Chem. Chem. Phys. 2007, 9, 4514 4520. (Invited article) DOI: 10.1039/b705746f. private reprint pub_60 59. Martin Losada, Yunjie Xu*, "Chirality transfer through hydrogen-bonding: experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water", Phys. Chem. Chem. Phys. 2007, 9, 3127 3135. DOI: 10.1039/b703368k. private reprint pub_59 58. A.R.W. McKellar, Yunjie Xu, Wolfgang Jäger, Spectroscopic studies of OCS-doped 4He clusters with 9 to 72 helium atoms: observation of broad oscillations in the rotational moment of inertia , J. Phys. Chem. 2007, 111, 7329 7337. DOI: 10.1021/jp070618w. private reprint pub_58 57. Nicole Borho, Yunjie Xu*, Lock-and-key principle on a microscopic scale: the case of the propylene oxide ethanol complex , Angew. Chem. Int. Ed. 2007, 46, 2123, 2276 2279. VIP paper, DOI: 10.1002/anie.200603809. private reprint pub_57
Nicole Borho, Yunjie Xu*, Lock-and-key principle on a microscopic scale: the case of the propylene oxide ethanol complex , Angew. Chem. 2007, 119, 2171, 2326 2329.
This article is featured on the COVER of Angew. Chem. Int. Ed., Volume 46, issue 13, March 19, 2007. This article was featured in
Nature, 425, 914 (October, 2003), in
Physical Review Focus (October, 2003), in Science News, 164, 262 (2003), and in Canadian
Chemical News , 56, 9 (April, 2004).
This publication is featured in the Canadian Chemical News, Vol. 59, p11, October, 2007.
56. Nicole Borho, Yunjie Xu*, Rotational spectrum of a chiral a-hydroxyester: conformation stability and internal rotation barrier heights of methyl lactate , Phys. Chem. Chem. Phys. 2007,
9, 1324 1328. DOI: 10.1039/b608561j.
private reprint pub_56
55. Zheng Su, Nicole Borho, Yunjie Xu*,
Chiral self-recognition: direct spectroscopic detection of the homochiral and heterochiral dimers of propylene oxide in the gas phase ,
J. Am. Chem. Soc. 2006, 128, 17126 17131. DOI: 10.1021/ja066128j.
private reprint pub_55
54. A. R. W. McKellar, Yunjie Xu, Wolfgang Jäger, Doped Helium Nano-Clusters: Spectroscopic Exploration of Atomic Scale Superfluidity ,
Phys. Rev. Lett. 2006, 97, 183401/1-4. DOI: 10.1103/PhysRevLett.97.183401.
private reprint pub_54
53. Waishun Tam, Igor Leonov, Yunjie Xu*, Pulsed slit jet cavity ring-down spectroscopy
with a mid-infrared lead salt diode laser , Rev. Sci. Instrum. 2006, 77, 063117/1-6.
DOI: 10.1063/1.2216567.
private reprint pub_53
52. Zheng Su, Qing Wen, Yunjie Xu*, Conformational stability of the propylene oxide-water adduct:
direct spectroscopic detection of O-H O hydrogen bonded conformers , J. Am. Chem. Soc. 2006,
128(20), 6755 6760.
(ASAP paper, Web Release Date: 03-May-2006; (Article) DOI: 10.1021/ja061343l.
private reprint pub_52
51. Zheng Su, Waishun Tam, Yunjie Xu*, High resolution infrared spectroscopy and ab intio studies of the cyclopropane-carbon dioxide
weak interaction , J. Chem. Phys. 2006, 124, 024311/1 9.
DOI: 10.1063/1.2150830.
private reprint pub_51
50. Yunjie Xu, Nicholas Blinov, Wolfgang Jäger, PN Roy, "Recurrences in rotational dynamics and experimental measurement
of superfluidity in doped helium clusters , J. Chem. Phys. 2006, 124, 081101/1 4, (communication).
DOI: 10.1063/1.2173640.
private reprint pub_50
49. Yunjie Xu*, Jennifer Van Wijngaarden, Wolfgang Jäger, "Microwave spectroscopy of ternary and
quaternary van der Waals complexes", Inter. Rev. Phys. Chem. 2005, 24, 301 338. (Invited review article)
DOI: 10.1080/01442350500252039.
private reprint pub_49
48. Zheng Su, Yunjie Xu*, "Ab initio study of chiral recognition in the propylene imine-hydrogen peroxide complex",
Phys. Chem. Chem. Phys. 2005, 7, 2554 2560.
DOI: 10.1039/B504191K. private reprint pub_48
47. Zheng Su, Yunjie Xu*, "Pulsed jet rotational spectra of the propylene oxide-neon molecular adduct"
J. Mol. Spectrosc. 2005, 232, 112-114.
DOI: 10.1016/j.jms.2005.02.002.
private reprint pub_47
46. Yunjie Xu, Patricia Arboleda, Wolfgang Jäger, "Microwave spectroscopic study of the CO-H2S complex",
J. Mol. Spectrosc. 2005, 229 47 53.
DOI: 10.1016/j.jms.2004.08.012.
private reprint pub_46
2004
45. Xiaogang Song, Yunjie Xu, PN Roy, Wolfgang Jäger, "Rotational spectrum, potential energy
surface, and bound states of the weakly bound complex He-N2O" J. Chem. Phys.
2004, 121, 12308 12314.
DOI: 10.1063/1.1819875.
private reprint pub_45
2003
44. Yunjie Xu, Wolfgang Jäger, Jian Tang, A. R. W. McKellar, "Spectroscopic studies of quantum solvation in 4HeN-N2O clusters",
Phys. Rev. Lett. 2003, 91, 163401 163404.
DOI: 10.1103/PhysRevLett.91.163401.
private reprint pub_44
43. Yunjie Xu, Wolfgang Jäger, "Rotational spectroscopic investigation of carbonyl sulfide solvated
with helium atoms", J. Chem. Phys. 2003, 119, 5457 5466.
DOI: 10.1063/1.1598953.
private reprint pub_43
2002
42. Jian Tang, Yunjie Xu, A.R.W. McKellar, Wolfgang Jäger,
"Quantum solvation of carbonyl sulfide with helium atoms", Science,
2002 297, 2030 2033.
DOI: 10.1126/science.1073718.
private reprint pub_42
This article was featured on the COVER of Science,
Vol. 297 (#5589),
September 20, 2002.
2001
41. Yunjie Xu, Wolfgang Jäger, "Fourier transform microwave spectroscopic Investigation of a very weakly bound ternary complex: OCS-He2",
Chem. Phys. Lett. 2001, 350, 417 422.
DOI: 10.1016/S0009-2614(01)01314-8.
private reprint pub_41
40. Yunjie Xu, Wolfgang Jäger, "Fourier transform microwave spectra of the very weakly
bound He-CO2 dimer", J. Mol. Structure 2001, 599, 211 217.
DOI: 10.1016/S0022-2860(01)00853-5.
private reprint pub_40
39. Mwaniki S. Ngari, Yunjie Xu, Wolfgang Jäger, "The ArNe-N2O van der Waals trimer: a high resolution spectroscopic study of its rotational spectrum, structure and dynamics",
Mol. Phys. 2001 , 99, 13 24.
DOI: 10.1080/00268970109483484.
private reprint pub_39
38. Yunjie Xu, Wolfgang Jäger, "Spectroscopic investigation of the ternary Ne-Ne-OCS van der Waals cluster: additive
and non-additive interactions", Phys. Chem. Chem. Phys. 2000, 2, 3549 3553.
DOI: 10.1039/B003697H.
private reprint pub_38
37. Changhong Xia, A.R.W. McKellar, Yunjie Xu, "Infrared spectrum of the CO-N2 van der Waals complex: Assignments
for CO-paraN2 and observation of a bending state for CO-orthoN2", J. Chem. Phys.
2000, 113, 525 533.
DOI: 10.1063/1.481912.
private reprint pub_37
36. Yunjie Xu and Wolfgang Jäger, "The dynamics of the CO-N2 intermolecular interaction: Strong Coriolis coupling in the CO-paraN2", J. Chem. Phys. 2000,
113, 514 524.
DOI: 10.1063/1.481911.
private reprint pub_36
1999
35. Yunjie Xu, Wolfgang Jäger, L.A. Surin, I. Pak, L.A. Panfilov, and G. Winnewisser, "Microwave and millimeter wave
study of ortho-N2 states of CO-N2", J. Chem. Phys. 1999, 111, 10476 10483.
DOI: 10.1063/1.480400.
private reprint pub_35
34. Yunjie Xu, Wolfgang Jäger, "Direct Observation of Rotational Transitions
of the CO-CO Dimer", J. Chem. Phys. 1999, 111, 5754 5756.
DOI: 10.1063/1.479871.
private reprint pub_34
33. Mwaniki S. Ngari, Yunjie Xu, Wolfgang Jäger, "Rotational spectroscopic investigation of the weak
interaction between CO and N2O", J. Mol. Spectrosc. 1999, 197, 244 253.
DOI: 10.1006/jmsp.1999.7915.
private reprint pub_33
32. A.R.W. McKellar, Yunjie Xu, Wolfgang Jäger, C. Bissonette, "Isotopic probing of very weak intermolecular forces:
microwave and infrared spectra of CO-He isotopomers", J. Chem. Phys. 1999,
110, 10766 10773.
DOI: 10.1063/1.479020.
private reprint pub_32
31. Yunjie Xu, Geoffrey Armstrong, Wolfgang Jäger, "Spectroscopic study of the mixed rare gases -
molecule van der Waals trimer NeArHCl", J. Chem. Phys. 1999, 110, 4354 4362.
DOI: 10.1063/1.478317.
private reprint pub_31
1998
30. Vladimir N. Markov, Yunjie Xu, Wolfgang Jäger, "A microwave - submillimeter wave double-resonance spectrometer for the investigation of van der Waals
complexes", Rev. Sci. Instrum. 1998, 69, 4061 4067.
DOI: 10.1063/1.1149251.
private reprint pub_30
29. Yunjie Xu, Wolfgang Jäger, "Rotational Spectra of NeCO2 Isotopomers", J. Mol. Spectrosc. 1998,
192, 435 440. DOI: 10.1006/jmsp.1998.7715.
private reprint pub_29
28. W. Jäger, Y. Xu, G. Armstrong, M.C.L. Gerry, F.Y. Naumkin, F. Wang, F.R.W. McCourt,
"Microwave Spectra of the Ne-N2 Van der Waals Complex: Experiment and Theory",
J. Chem. Phys. 1998, 109, 5420 5432.
DOI: 10.1063/1.477160.
private reprint pub_28
27. Yunjie Xu, Wolfgang Jäger, "Spectroscopic Investigation of Weak Interactions in the van der Waals Trimer NeArCO2",
Mol. Phys. 1998, 93, 727 737. DOI: 10.1080/002689798168745.
private reprint pub_27
1997
26. Yunjie Xu, Wolfgang Jäger, "High Resolution Spectroscopy of Ne and Ar Containing Rare Gas Clusters",
J. Chem. Phys. 1997, 107, 4788 4796.
DOI: 10.1063/1.474842.
private reprint pub_26
25. Yunjie Xu, Wolfgang Jäger, "Evidence for Heavy Atom Large Amplitude Motions in RG-Cyclopropane van der Waals Complexes (RG=Ne, Ar, Kr) from Rotation-Tunneling
Spectroscopy", J. Chem. Phys. 1997, 106, 7968 7980.
DOI: 10.1063/1.473808.
private reprint pub_25
24. Yunjie Xu, A.R.W. McKellar, "Refined Molecular Parameters for the CO-OCS van der Waals Complex in the OCS O-C Stretching Band",
J. Mol. Spectrosc. 1997, 184, 202 204.
DOI: 10.1006/jmsp.1997.7313.
private reprint pub_24
1996
23. Yunjie Xu, A.R.W.McKellar, "The C-O Stretching Band of the CO-N2O van der Waals Complex",
J. Mol. Spectrosc. 1996, 180, 164 169. DOI: 10.1006/jmsp.1996.0237. private reprint pub_23
22. Yunjie Xu, A.R.W. McKellar, B.J.Howard, "Refined Molecular Parameters for the Carbon Monoxide Stretching
Band of the CO-CO2 van der Waals Complex", J. Mol. Spectrosc 1996, 179, 345 347.
DOI: 10.1006/jmsp.1996.0215.
private reprint pub_22
21. Yunjie Xu, A.R.W. McKellar, "The Infrared Spectrum of the Ar-CO Complex:
Comprehensive Analysis Including van der Waals Stretching and Bending States",
Mol. Phys. 1996, 88, 859 874.
DOI: 10.1080/00268979650026343. pub_21
20. Yunjie Xu, A.R.W.McKellar, "Continuous Slit-Jet Infrared Spectrum of the CO-N2 Complex",
J. Chem. Phys. 1996, 104, 2488 2496.
DOI: 10.1063/1.470997. private reprint pub_20
19. Yunjie Xu, S.Civis, A.R.W.McKellar, S.Konig, M.Haverlag, G.Hilpert, M.Havenith,
"High-K ("Propeller")States in the Infrared Spectrum of the Ar-CO Complex",
Mol. Phys. 1996, 87, 1071 1082.
DOI: 10.1080/00268979600100741.
private reprint pub_19
18. Heinrich M der, Nils Heineking, Wolfgang Stahl, Wolfgang Jäger, Yunjie Xu, "Investigation of the Rotational Spectrum of the Isotopically Substituted van der Waals
Complex Ar-CO2 by Molecular Beam Fourier Transform Microwave Spectroscopy",
J. Chem. Soc. Faraday Trans. 1996, 92, 901 905.
DOI: 10.1039/FT9969200901. private reprint pub_18
17. Yunjie Xu, A.R.W. McKellar, James B.Burkholder, John J.Orlando,
"High Resolution Infrared Spectrum of the v1 and v3 Bands of Dichlorine Monoxide, Cl2O",
J. Mol. Spectrosc. 1996, 175, 68 72.
DOI: 10.1006/jmsp.1996.0010. private reprint pub_17
1995
16. Yunjie Xu, Wolfgang Jäger, Joyce Djauhari, M.C.L.Gerry, "Rotational Spectra of the Mixed Rare Gas Dimers
Ne-Kr and Ar-Kr", J. Chem. Phys. 1995, 103, 2827 2833. DOI: 10.1006/jmsp.1995.1045.
private reprint pub_16
15. Yunjie Xu, M. Fukushima, T. Amano, A.R.W. McKellar, "Infrared Spectroscopy of Molecular Ions in a Corona-Discharge
Slit Expansion", Chem. Phys. Lett. 1995, 242, 126 131. DOI: 10.1006/jmsp.1995.1045.
private reprint pub_15
14. Yunjie Xu, M.C.L. Gerry, "Pulsed Beam Microwave Fourier Transform Measurements
on Isotopically Substituted van der Waals Dimer Ne-OCS", J. Mol. Spectrosc.
1995, 169, 542 554.
DOI: 10.1006/jmsp.1995.1045. private reprint pub_14
1994
13. M.Fukushima, M.-C.Chan, Yunjie Xu, A.Taleb-Bendiab, T. Amano, "Infrared Absorption Spectroscopy of Jet-Cooled
Molecular Ions", Chem. Phys. Lett. 1994, 230, 561 566. DOI: 10.1016/0009-2614(95)00720-O
private reprint pub_13
12. Yunjie Xu, J.W.C. Johns, A.R.W. McKellar, "High Resolution Infrared Spectra of Formyl Fluoride, HFCO",
J. Mol. Spectrosc. 1994, 168, 147 157. DOI: 10.1006/jmsp.1994.1267.
private reprint pub_12
11. Yunjie Xu, Wolfgang Jäger, M.C.L. Gerry, "Microwave Spectroscopic Investigation of the Mixed Rare Gas van der Waals Trimers Ne2-Kr and Ne2-Xe", J. Chem. Phys.
1994, 100, 4171 4180. DOI: 10.1063/1.466301.
private reprint pub_11
1993
10. Wolfgang Jäger, Yunjie Xu, Nils Heineking, M.C.L. Gerry, "The Microwave Rotational Spectrum of the van der Waals Complex Kr-N2", J. Chem. Phys.
1993, 99, 7510 7520. DOI: 10.1063/1.465681.
private reprint pub_10
9. Wolfgang Jäger, Yunjie Xu, M.C.L. Gerry, "Pure Rotational Spectra of the Mixed Rare Gas van der Waals Complexes Ne-Xe, Ar-Xe and Kr-Xe", J. Chem. Phys. 1993,
99, 919 927. DOI: 10.1063/1.465356.
private reprint pub_9
8. Yunjie Xu, Wolfgang Jäger, Irving Ozier, M.C.L. Gerry, "Rotational Spectrum, Structure and Chlorine Nuclear Quadrupole Coupling Constants of the van der Waals
Complex Ar-Cl2", J. Chem. Phys. 1993, 98, 3726 3731. DOI: 10.1063/1.464050.
private reprint pub_8
7. Yunjie Xu, Wolfgang Jäger, M.C.L. Gerry, Illona Merke, "The Rotational Spectrum of Bromoacetonitrile, Measured with Stark Modulated and Microwave Fourier Transform
Spectrometers", J. Mol. Spectrosc. 1993, 160, 258 271. DOI: 10.1006/jmsp.1993.1173.
private reprint pub_7
6. Yunjie Xu, M.C.L. Gerry, J.P. Connelly, B.J. Howard, "The Microwave Spectrum, Structure and Harmonic Force Field of the van der Waals Trimer Ar2-OCS", J. Chem. Phys.
1993, 98, 2735 2741. DOI: 10.1063/1.464155.
private reprint pub_6
5. Wolfgang Jäger, Yunjie Xu, M.C.L. Gerry, "A Microwave Spectroscopic Investigation of the Weakly Bound Dimer Carbon Monoxide - Chlorine, OC-Cl2", J. Phys. Chem.
1993, 97, 3685 3689. DOI: 10.1021/j100117a009.
private reprint pub_5
4. Yunjie Xu, Wolfgang Jäger, M.C.L. Gerry, "Pulsed Molecular Beam Microwave Fourier Transform Spectroscopy of the van der Waals Trimer Ar2-CO2", J. Mol. Spectrosc.
1993, 157, 132 140. DOI: 10.1006/jmsp.1993.1011 .
private reprint pub_4
1992
3. Yunjie Xu, M.C.L. Gerry, D.L.Joo, Dennis J.Clouthier, "The Microwave Spectrum, Spin-Rotation Coupling Constants, and Structure of Thiocarbonyl Fluoride,
SCF2, Observed with a Cavity Microwave Fourier Transform Spectrometer", J. Chem. Phys.
1992, 97, 3931 3939.
DOI: 10.1063/1.462932. private reprint pub_3
2. Yunjie Xu, Wolfgang Jäger, M.C.L. Gerry, "The Rotational Spectrum of the Isotopically Substituted van der Waals Complex Ar-OCS, Obtained Using a Pulsed Beam Microwave Fourier Transform Spectrometer", J. Mol. Spectrosc.
1992, 151, 206 216. DOI: 10.1016/0022-2852(92)90016-H.
private reprint pub_2
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