Theoretical studies of the hydrogen peroxide potential surface. 1. An ab initio anharmonic force field

1989 ◽  
Vol 93 (24) ◽  
pp. 8004-8013 ◽  
Author(s):  
Lawrence B. Harding
Keyword(s):  
Hydrogen Peroxide ◽  
Force Field ◽  
Ab Initio ◽  
Potential Surface ◽  
Theoretical Studies ◽  
Anharmonic Force

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

The Anharmonic Force Field of Thioformaldehyde, H2CS, by ab Initio Methods

1994 ◽  
Vol 168 (2) ◽  
pp. 363-373 ◽  
Author(s):  
J.M.L. Martin ◽  
J.P. Francois ◽  
R. Gijbels
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Ab Initio Methods ◽  
Anharmonic Force

Ab initio study of spectroscopic constants and anharmonic force field of FCO2 radical

2010 ◽  
Vol 951 (1-3) ◽  
pp. 77-81 ◽  
Author(s):  
Yuting Sun ◽  
Meishan Wang ◽  
Chuanlu Yang ◽  
Yurong Guo
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Spectroscopic Constants ◽  
Ab Initio Study ◽  
Anharmonic Force

Millimetre-wave and infrared spectroscopy of Br13CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497 ◽  
Author(s):  
By CLAUDIO DEGLI ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

scholarly journals Accurate ab initio anharmonic force field and heat of formation for silane

1999 ◽  
Vol 97 (8) ◽  
pp. 945-953 ◽  
Author(s):  
Jan M. L. Martin, Kim K. Baldridge, Tim
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Heat Of Formation ◽  
Anharmonic Force
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