Pseudorotation pathway and quadratic force field for PF5, by ab initio calculations

1984 ◽  
pp. 401 ◽  
Author(s):  
Colin J. Marsden
Keyword(s):  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Quadratic Force Field

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 vibrational force field of diazirine from gas phase data and from ab initio calculations

1994 ◽  
Vol 320 ◽  
pp. 107-123 ◽  
Author(s):  
Brenda P. Winnewisser ◽  
Alberto Gambi ◽  
Manfred Winnewisser
Keyword(s):  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Data

AB initio calculations of the structure, force field and frequencies of normal modes of Li2F2

1980 ◽  
Vol 73 (1) ◽  
pp. 58-61 ◽  
Author(s):  
A.I. Boldyrev ◽  
V.G. Solomonik ◽  
V.G. Zakzhevskii ◽  
O.P. Charkin
Keyword(s):  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Normal Modes

An ab initio quadratic force field for methyldiborane

1984 ◽  
Vol 23 (16) ◽  
pp. 2505-2509 ◽  
Author(s):  
David D. Keeports ◽  
David F. Eggers
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Quadratic Force Field
Sign in / Sign up

Export Citation Format

Share Document