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Journal of Molecular Structure: THEOCHEM

Volumn 537, Issue 1, 2001, Pages 213-222

Multiconfigurational self-consistent and molecular mechanics simulation of solvent effects on the n → π* blue shift of pyrimidine

(4) Martin M E a Sanchez M L a Aguilar, M A a Olivares del Valle, F J a

a UNIVERSITY OF EXTREMADURA (Spain)

Author keywords

Blue shift; Electronic transitions; Pyrimidine; QM MM methods; Solvent effects

Indexed keywords

PYRIMIDINE; SOLVENT; WATER;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DIPOLE; ENERGY; MECHANICS; MOLECULAR DYNAMICS; SIMULATION;

EID: 0035848464 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00678-3 Document Type: Article

Times cited : (29)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.