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Volumn 115, Issue 20, 2001, Pages 9103-9109

A practical method for the use of curvilinear coordinates in calculations of normal-mode-projected displacements and duschinsky rotation matrices for large molecules

(1) Reimers, J R a

a UNIVERSITY OF SYDNEY (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; COMPUTER AIDED SOFTWARE ENGINEERING; CONFORMATIONS; ELECTRON TRANSITIONS; ELECTRON TRANSPORT PROPERTIES; MATHEMATICAL TRANSFORMATIONS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NUMERICAL METHODS; RELAXATION PROCESSES;

COMPUTATIONAL CHEMISTRY COMPUTER PROGRAMS; DUSCHINSKY ROTATION; ELECTRON TRANSFER; FRANCK-CONDON FACTORS;

MOLECULAR STRUCTURE;

EID: 0035935793 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1412875 Document Type: Article

Times cited : (580)

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