Ab initio Calculation of the Dipole Moment Function of the OH Radical Ground State

2018 ◽  
Vol 12 (6) ◽  
pp. 970-976
Author(s):  
S. O. Adamson ◽  
D. D. Kharlampidi ◽  
G. V. Golubkov ◽  
M. I. Manzhelii ◽  
S. S. Nabiev ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Ground State ◽  
Ab Initio Calculation ◽  
Moment Function ◽  
Oh Radical

Ab initio calculation of the dipole moment function of hydrogen iodide

1981 ◽  
Vol 78 (2) ◽  
pp. 311-315 ◽  
Author(s):  
Hans-Joachim Werner ◽  
Ernst-Albrecht Reinsch ◽  
Pavel Rosmus
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Moment Function ◽  
Hydrogen Iodide

An accurate ab initio calculation of the dipole moment function of GeH

1986 ◽  
Vol 125 (5-6) ◽  
pp. 433-437 ◽  
Author(s):  
Hans-Joachim Werner ◽  
A.D. Buckingham
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Moment Function

scholarly journals A new ab initio ground-state dipole moment surface for the water molecule

2008 ◽  
Vol 128 (4) ◽  
pp. 044304 ◽  
Author(s):  
Lorenzo Lodi ◽  
Roman N. Tolchenov ◽  
Jonathan Tennyson ◽  
A. E. Lynas-Gray ◽  
Sergei V. Shirin ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Water Molecule ◽  
Ab Initio ◽  
Ground State ◽  
Ground State Dipole Moment

Oxidation of Silver Cyanide Ag(CN)2– by the OH Radical: From Ab Initio Calculation to Molecular Simulation and to Experiment

2020 ◽  
Vol 124 (51) ◽  
pp. 10787-10798
Author(s):  
Céline Léonard ◽  
Frédéric Le Quéré ◽  
Daniel Adjei ◽  
Sergey A. Denisov ◽  
Mehran Mostafavi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Molecular Simulation ◽  
Ab Initio Calculation ◽  
Oh Radical ◽  
Silver Cyanide

Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH3

2006 ◽  
Vol 239 (1) ◽  
pp. 71-87 ◽  
Author(s):  
Sergei N. Yurchenko ◽  
Miguel Carvajal ◽  
Walter Thiel ◽  
Per Jensen
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Ground State ◽  
Electronic Ground State ◽  
Electronic Ground
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