Theoretical investigations of the IR spectroscopy of Ni(C2S2H2)2. A case study of the P_VMWCI2 algorithm including anharmonic effects Advances in mass spectrometry for biological science

Saved in:
Bibliographic Details
Published inPhysical chemistry chemical physics : PCCP Vol. 12; no. 41; pp. 13746 - 13751
Main Authors BEGUE, Didier, LABEGUERIE, Pierre, ZHANG-NEGRERIE, Daisy Y, AVRAMOPOULOS, Aggelos, SERRANO-ANDRES, Luis, PAPADOPOULOS, Manthos G
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 2010
Subjects
Chemistry
Exact sciences and technology
General and physical chemistry
Infrared spectrometry
Inclusion
Ethylene
Wave function
Theoretical study
Frequency
Transition metal
Nickel
Configuration interaction
Infrared spectrum
Algorithm
Online AccessGet full text

Cover

More Information
ISSN:1463-9076
1463-9084