SCOPUS 정보 검색 플랫폼

Volumn 107, Issue 3, 2002, Pages 147-153

The search for stationary points on a quantum mechanical/molecular mechanical potential-energy surface

(7) Prat Resina, Xavier a Garcia Viloca, Mireia a Monard, Gerald b González Lafont, Angels a Lluch, José M a Bofill, Josep Maria c Anglada, Josep Maria d

a UNIVERSITAT AUTÒNOMA DE BARCELONA (Spain)

b UNIVERSITÉ DE LORRAINE (France)

c UNIVERSITY OF BARCELONA (Spain)

d DEPARTMENT OF ENVIRONMENTAL CHEMISTRY (Spain)

Author keywords

Fletcher Goldfarg Shanno; Modified Broyden; Quantum mechanical molecular mechanical stationary points location; Rational function optimization methods; Update Hessian matrix formula

Indexed keywords

ALGORITHM; ARTICLE; ENERGY; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; METHODOLOGY; MOLECULAR MECHANICS; QUANTUM MECHANICS;

EID: 0036106832 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-001-0308-8 Document Type: Article

Times cited : (16)

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