Anharmonic molecular force fields
Author:
Publisher
Wiley
Subject
Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/wcms.75/fullpdf
Reference139 articles.
1. Zur quantentheorie der moleküle;Born;Ann Phys (Leipzig),1927
2. The diagonal correction to the Born-Oppenheimer approximation: its effect on the singlet-triplet splitting of CH2 and other molecular effects;Handy;J Chem Phys,1986
3. Permutationally invariant potential energy surfaces in high dimensionality;Braams;Int Rev Phys Chem,2009
4. The [FHCl]− molecular anion: structural aspects, global surface, and vibrational eigenspectrum;Klepeis;J Chem Phys,1993
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