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Volumn 117, Issue 2, 2002, Pages 581-592

Chiroptical properties from time-dependent density functional theory. II: Optical rotations of small to medium sized organic molecules

(5) Autschbach, Jochen a Patchkovskii, Serguei a Ziegler, Tom a Van Gisbergen, Stan J A b Baerends, Evert Jan b

a UNIVERSITY OF CALGARY (Canada)

b VU UNIVERSITY AMSTERDAM (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; LIGHT POLARIZATION; MOLECULAR VIBRATIONS; OPTICAL ROTATION; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; STEREOCHEMISTRY;

OPTICAL ROTATION DISPERSION (ORD);

MOLECULAR DYNAMICS;

EID: 0037043411 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1477925 Document Type: Article

Times cited : (172)

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