Exploring the ability of frozen-density embedding to model induced circular dichroism

Journal of Physical Chemistry A

Volumn 110, Issue 28, 2006, Pages 8786-8796

  Neugebauer, Johannes ^a,b   Baerends, Evert Jan ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CARBOXYLIC ACIDS; CARRIER CONCENTRATION; COUPLED CIRCUITS; ELECTRONIC STRUCTURE; EXCITONS; MOLECULAR STRUCTURE; PERTURBATION TECHNIQUES; SPECTRUM ANALYSIS;

ACHIRAL MOLECULE; BENZOYLBENZOIC ACID; CIRCULAR DICHROISM (CD); FROZEN-DENSITY EMBEDDING;

PROBABILITY DENSITY FUNCTION;

EID: 33746927102     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0622280     Document Type: Article

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