Ab initio potential energy surface and rovibrational spectra of He–CO2

The Journal of Chemical Physics ◽

10.1063/1.477724 ◽

1998 ◽

Vol 109 (23) ◽

pp. 10284-10292 ◽

Author(s):

Guosen Yan ◽

Minghui Yang ◽

Daiqian Xie

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Rovibrational Spectra

Download Full-text

A full-dimensional ab initio intermolecular potential energy surface and rovibrational spectra for OC–HF and OC–DF

The Journal of Chemical Physics ◽

10.1063/5.0061291 ◽

2021 ◽

Vol 155 (8) ◽

pp. 084302

Author(s):

Qiong Liu ◽

Lu Liu ◽

Feng An ◽

Jing Huang ◽

Yanzi Zhou ◽

...

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential ◽

Rovibrational Spectra

Download Full-text

Intermolecular potential energy surface and rovibrational spectra of the He–N2O complex from ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.1697390 ◽

2004 ◽

Vol 120 (18) ◽

pp. 8575-8581 ◽

Author(s):

Yanzi Zhou ◽

Daiqian Xie

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential ◽

Rovibrational Spectra

Download Full-text

Explicitly correlated ab initio potential energy surface and predicted rovibrational spectra for H2O–N2 and D2O–N2 complexes

The Journal of Chemical Physics ◽

10.1063/5.0009098 ◽

2020 ◽

Vol 153 (5) ◽

pp. 054303

Author(s):

Lu Wang ◽

Xiao-Long Zhang ◽

Yu Zhai ◽

Marcel Nooijen ◽

Hui Li

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Explicitly Correlated ◽

Rovibrational Spectra

Download Full-text

A new six-dimensional ab initio potential energy surface and rovibrational spectra for the Ne–H2S complex

Chemical Physics Letters ◽

10.1016/j.cplett.2020.138156 ◽

2021 ◽

Vol 763 ◽

pp. 138156

Author(s):

Xin Pei ◽

Yang Peng ◽

Hua Zhu

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Rovibrational Spectra

Download Full-text

New potential energy surface and rovibrational spectra of Ar⋯HCl complex: An ab initio study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2016.03.012 ◽

2016 ◽

Vol 1083 ◽

pp. 64-71 ◽

Author(s):

Hamidreza Jouypazadeh ◽

Mohammad Solimannejad ◽

Hossein Farrokhpour

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Ab Initio Study ◽

Rovibrational Spectra

Download Full-text

A new four-dimensional ab initio potential energy surface and rovibrational spectra for the C2H2–Ar complex

Molecular Physics ◽

10.1080/00268976.2019.1705414 ◽

2019 ◽

Vol 118 (14) ◽

pp. e1705414 ◽

Author(s):

Chaoying Han ◽

Xin Pei ◽

Hua Zhu ◽

Hongjun Fan

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Rovibrational Spectra

Download Full-text

Three-dimensional ab initio potential-energy surface and rovibrational spectra of the H2–Kr complex

The Journal of Chemical Physics ◽

10.1063/1.2042448 ◽

2005 ◽

Vol 123 (13) ◽

pp. 134323 ◽

Author(s):

Yanzi Zhou ◽

Daiqian Xie

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Three Dimensional ◽

Rovibrational Spectra

Download Full-text

Ab initio potential energy surface and rovibrational spectra of Ne–N2O

Chemical Physics Letters ◽

10.1016/s0009-2614(01)01280-5 ◽

2002 ◽

Vol 351 (1-2) ◽

pp. 149-157 ◽

Author(s):

Hua Zhu ◽

Daiqian Xie ◽

Guosen Yan

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Rovibrational Spectra

Download Full-text

An accurate, global, ab initio potential energy surface for the H + 3 molecule

Molecular Physics ◽

10.1080/002689700162540 ◽

2000 ◽

Vol 98 (5) ◽

pp. 261-273 ◽

Author(s):

Oleg L. Polyansky, Rita Prosmiti, Wim Kl

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Download Full-text

AB INITIO EXPLORATION OF THE POTENTIAL ENERGY SURFACE OF THE O2-SO2 OPEN-SHELL COMPLEX.

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.tk12 ◽

2016 ◽

Author(s):

Wafaa Fawzy ◽

Jon Hougen

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Download Full-text