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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 104, 2006 - Issue 1: A Special Issue in Honour of Professor Mark Child. Special Issue Editor: Jonathan Connor
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Original Articles

Potential energy surface and infrared spectra of OCS–hydrogen complexes

F. Paesani
&
K. B. Whaley *
Pages 61-72 | Received 10 May 2005, Accepted 14 Jun 2005, Published online: 21 Feb 2007

Citations (32)

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Daiqian Xie, Hong Ran & Yanzi Zhou. (2007) Potential energy surfaces and predicted infrared spectra for van der Waals complexes: dependence on one intramolecular vibrational coordinate. International Reviews in Physical Chemistry 26:3, pages 487-520.
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Articles from other publishers (31)

Yipeng Yu, Dongzheng Yang, Yanzi Zhou & Daiqian Xie. (2023) A New Full-Dimensional Ab Initio Intermolecular Potential Energy Surface and Rovibrational Energies of the H 2 O–H 2 Complex . The Journal of Physical Chemistry A 128:1, pages 170-181.
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Jian Lv, Dapeng Yang, Yanshan Tian, Aiqing Zhao, Hongli Wang, Lipeng Shi & Rui Zheng. (2020) Theoretical investigation of potential energy surface and bound states for the N2–OCS van der Waals complex. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 228, pages 117768.
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Rui Zheng, Limin Zheng & Minghui Yang. (2019) Investigating the influence of intramolecular bond lengths on the intermolecular interaction of H2–AgCl complex: Binding energy, intermolecular vibrations, and isotope effects. The Journal of Chemical Physics 150:16.
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Jing-Min Liu, Xiao-Long Zhang, Yu Zhai & Hui Li. (2018) Theoretical Study of Infrared Spectra of OCS-( p H 2 ) 2 , OCS-( o D 2 ) 2 , OCS-(HD) 2 , and Mixed OCS- p H 2 -He Trimers . The Journal of Physical Chemistry A 122:11, pages 2915-2926.
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Jing-Min Liu, Yu Zhai & Hui Li. (2017) Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS–H2. The Journal of Chemical Physics 147:4.
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Paul L. Raston & Wolfgang Jäger. (2017) Rotational Spectroscopic Study of Quantum Solvation in Isotopologic ( p H 2 ) N –CO Clusters . The Journal of Physical Chemistry A 121:19, pages 3671-3678.
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Tao Zeng, Hui Li & Pierre‐Nicholas Roy. (2014) Potential generation and path‐integral M onte C arlo in study of microscopic superfluidity . International Journal of Quantum Chemistry 115:9, pages 535-540.
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Paul L. Raston & Wolfgang Jäger. (2015) Microwave spectroscopy of the seeded binary and ternary clusters CO-( p H2)2, CO- p H2-He, CO-HD, and CO-( o D2) N =1,2 . The Journal of Chemical Physics 142:14.
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Yun Hu, Ting Yuan & Hua Zhu. (2015) A new ab initio potential energy surface and infrared spectra for the Ne–CS2 complex. Computational and Theoretical Chemistry 1056, pages 47-51.
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Ting Yuan & Hua Zhu. (2014) A new ab initio potential energy surface and infrared spectra for the He–CS2 complex. Theoretical Chemistry Accounts 133:10.
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Matthias Berg, Antonio Accardi, Beate Paulus & Burkhard Schmidt. (2014) Rotationally adiabatic pair interactions of para- and ortho-hydrogen with the halogen molecules F2, Cl2, and Br2. The Journal of Chemical Physics 141:7.
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Lecheng Wang, Daiqian Xie, Robert J. Le Roy & Pierre-Nicholas Roy. (2013) A new six-dimensional potential energy surface for H2–N2O and its adiabatic-hindered-rotor treatment. The Journal of Chemical Physics 139:3.
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Xueli Sun, Yun Hu & Hua Zhu. (2013) Ab initio potential energy surface and predicted rotational spectra for the Ne–H2O complex . The Journal of Chemical Physics 138:20.
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Chunyan Sun, Xi Shao, Chunhua Yu, Eryin Feng & Wuying Huang. (2012) A three-dimensional potential energy surface and infrared spectra for the Kr–OCS van der Waals complex. Chemical Physics Letters 549, pages 12-16.
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MIN CHEN & HUA ZHU. (2012) POTENTIAL ENERGY SURFACE, MICROWAVE AND INFRARED SPECTRA OF THE Xe–CO 2 COMPLEX FROM AB INITIO CALCULATIONS . Journal of Theoretical and Computational Chemistry 11:03, pages 537-546.
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María Pilar de Lara-Castells & Alexander O. Mitrushchenkov. (2011) Collective Bosonic Excitations in Doped para -H 2 Clusters through the Full-Configuration-Interaction Nuclear Orbital Approach . The Journal of Physical Chemistry Letters 2:17, pages 2145-2151.
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Julie M. Michaud, Wendy C. Topic & Wolfgang Jäger. (2011) Spectroscopic and Theoretical Study of the Weakly Bound H 2 −HCCCN Dimer . The Journal of Physical Chemistry A 115:34, pages 9456-9466.
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Hui Li, Pierre-Nicholas Roy & Robert J. Le Roy. (2010) An “adiabatic-hindered-rotor” treatment allows para -H2 to be treated as if it were spherical . The Journal of Chemical Physics 133:10.
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Rong Chen, Erqiang Jiao, Hua Zhu & Daiqian Xie. (2010) A new ab initio potential energy surface and microwave and infrared spectra for the Ne–CO2 complex . The Journal of Chemical Physics 133:10.
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Slava Grebenev, Boris G. Sartakov, J. Peter Toennies & Andrey F. Vilesov. (2010) Spectroscopic investigation of OCS (p-H2)n (n=1–16) complexes inside helium droplets: Evidence for superfluid behavior. The Journal of Chemical Physics 132:6.
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Yali Cui, Hong Ran & Daiqian Xie. (2009) A new potential energy surface and predicted infrared spectra of the Ar–CO2 van der Waals complex. The Journal of Chemical Physics 130:22.
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Hua Zhu & Daiqian Xie. (2009) N 2 O in small para ‐hydrogen clusters: Structures and energetics . Journal of Computational Chemistry 30:6, pages 841-846.
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Julie M. Michaud & Wolfgang Jäger. (2008) Rotational spectroscopic study of carbonyl sulfide solvated with hydrogen molecules. The Journal of Chemical Physics 129:14.
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Hong Ran & Daiqian Xie. (2008) A new potential energy surface and predicted infrared spectra of He–CO2: Dependence on the antisymmetric stretch of CO2. The Journal of Chemical Physics 128:12.
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D. Cappelletti, F. Pirani, B. Bussery-Honvault, L. Gomez & M. Bartolomei. (2008) A bond–bond description of the intermolecular interaction energy: the case of weakly bound N2–H2 and N2–N2 complexes. Physical Chemistry Chemical Physics 10:29, pages 4281.
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Zhenhong Yu, Kelly J. Higgins, William Klemperer, Michael C. McCarthy, Patrick Thaddeus, Kristine Liao & Wolfgang Jäger. (2007) Rotational spectra of the van der Waals complexes of molecular hydrogen and OCS. The Journal of Chemical Physics 127:5.
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Hong Ran, Yanzi Zhou & Daiqian Xie. (2007) Five-dimensional ab initio potential energy surface and predicted infrared spectra of H2–CO2 van der Waals complexes . The Journal of Chemical Physics 126:20.
Crossref
Britney D. Lorenz & David T. Anderson. (2007) Infrared spectra of N2O–(ortho-D2)N and N2O–(HD)N clusters trapped in bulk solid parahydrogen. The Journal of Chemical Physics 126:18, pages 184506.
Crossref
Lin Wang, Minghui Yang, A. R. W. McKellar & Dong H. Zhang. (2007) Spectroscopy and potential energy surface of the H 2 –CO 2 van der Waals complex: experimental and theoretical studies . Phys. Chem. Chem. Phys. 9:1, pages 131-137.
Crossref
Yanzi Zhou, Hong Ran & Daiqian Xie. (2006) A five-dimensional potential energy surface and predicted infrared spectra for the N2O-hydrogen complexes. The Journal of Chemical Physics 125:17.
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F. Paesani & K. B. Whaley. (2006) Vibrational shifts of OCS in mixed clusters of parahydrogen and helium. The Journal of Chemical Physics 124:23.
Crossref

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