SCOPUS 정보 검색 플랫폼

Quantitative Structure-Activity Relationships

Volumn 21, Issue 2, 2002, Pages 105-118

Computation of spectroscopic parameters in vacuo and in condensed phases by methods based on the density functional theory

(3) Barone, Vincenzo a Crescenzi, Orlando a Improta, Roberto a

a UNIVERSITY OF NAPLES FEDERICO II (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; CONTINUUM MECHANICS; ELECTRON SPIN RESONANCE SPECTROSCOPY; HAMILTONIANS; NUCLEAR MAGNETIC RESONANCE; PARAMETER ESTIMATION; SOLVENTS;

AVERAGING EFFECT; CONDENSED PHASE; CONDENSED PHASIS; CONTINUUM MODEL; DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL-THEORY; NUCLEAR MOTIONS; SOLVENT EFFECTS; SPECTROSCOPIC PARAMETERS; UV-VISIBLE;

DENSITY FUNCTIONAL THEORY;

ANALYTIC METHOD; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; INFRARED SPECTROSCOPY; MOTION; NUCLEAR MAGNETIC RESONANCE; POLYMERIZATION; PRIORITY JOURNAL; RAMAN SPECTROMETRY; RELIABILITY; SPECTROSCOPY; THEORY; VIBRATION;

EID: 0036329947 PISSN: 09318771 EISSN: None Source Type: Journal
DOI: 10.1002/1521-3838(200207)21:2<105::AID-QSAR105>3.0.CO;2-V Document Type: Article

Times cited : (27)

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