Long-Range Complex in the HC$$_{3}$$N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential

Ab Initio Calculations ◽

Ab Initio ◽

Long Range ◽

Energy Surface ◽

Intermolecular potential energy surface of the proton-bound H2O+–He dimer: Ab initio calculations and IR spectra of the O–H stretch vibrations

Physical Chemistry Chemical Physics ◽

10.1039/b101384j ◽

2001 ◽

Vol 3 (12) ◽

pp. 2400-2410 ◽

Cited By ~ 25

Author(s):

Doris Roth ◽

Otto Dopfer ◽

John P. Maier

Keyword(s):

Potential Energy ◽

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

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 ◽

Cited By ~ 30

Author(s):

Yanzi Zhou ◽

Daiqian Xie

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential ◽

Rovibrational Spectra

F2 dimer: Improved intermolecular potential energy surface using ab initio calculations

International Journal of Quantum Chemistry ◽

10.1002/qua.25216 ◽

2016 ◽

Vol 116 (20) ◽

pp. 1477-1485 ◽

Cited By ~ 3

Author(s):

Saeedeh Tashakor ◽

Mohammad R. Noorbala ◽

Mansoor Namazian

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

A new intermolecular potential energy surface for carbon dioxide from ab initio calculations

Chemical Physics ◽

10.1016/s0301-0104(00)00161-0 ◽

2000 ◽

Vol 257 (2-3) ◽

pp. 147-156 ◽

Cited By ~ 95

Author(s):

S Bock ◽

E Bich ◽

E Vogel

Keyword(s):

Carbon Dioxide ◽

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular potential energy surface, microwave and infrared spectra of the Kr–CO2 complex from ab initio calculations

Chemical Physics Letters ◽

10.1016/j.cplett.2011.06.067 ◽

2011 ◽

Vol 511 (4-6) ◽

pp. 229-234 ◽

Cited By ~ 20

Author(s):

Rong Chen ◽

Hua Zhu ◽

Daiqian Xie

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Energy Surface ◽

An analytical six‐dimensional potential energy surface for (HF)2 from ab initio calculations

The Journal of Chemical Physics ◽

10.1063/1.455007 ◽

1988 ◽

Vol 89 (5) ◽

pp. 3002-3007 ◽

Cited By ~ 81

Author(s):

P. R. Bunker ◽

Manfred Kofranek ◽

Hans Lischka ◽

Alfred Karpfen

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface

Kinetic isotope effects for the H2+ C2H ↔ C2H2+ H reaction based on the ab initio calculations and a global potential energy surface

International Journal of Chemical Kinetics ◽

10.1002/kin.20482 ◽

2010 ◽

Vol 42 (5) ◽

pp. 289-298 ◽

Cited By ~ 1

Author(s):

Liping Ju ◽

Dongsheng Wang

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Isotope Effects ◽

Kinetic Isotope Effects ◽

Kinetic Isotope

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 ◽

Ab Initio ◽

Energy Surface ◽

Intermolecular Potential ◽

Rovibrational Spectra

Ab initio calculation of the intermolecular potential energy surface of (CO2)2 and first applications in simulations of fluid CO2

Chemical Physics ◽

10.1016/s0301-0104(96)00282-0 ◽

1996 ◽

Vol 213 (1-3) ◽

pp. 253-261 ◽

Cited By ~ 31

Author(s):

Marc Welker ◽

Gerold Steinebrunner ◽

Jan Solca ◽

Hanspeter Huber

Keyword(s):

Potential Energy ◽

Ab Initio ◽

Ab Initio Calculation ◽

Energy Surface ◽

Repulsive double many-body expansion potential energy surface for the reactions N(4S)+ H2⇌ NH(X3Σ–)+ H from accurate ab initio calculations

Physical Chemistry Chemical Physics ◽

10.1039/b505590c ◽

2005 ◽

Vol 7 (15) ◽

pp. 2867 ◽

Cited By ~ 33

Author(s):

L. A. Poveda ◽

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Surface ◽

Many Body