SCOPUS 정보 검색 플랫폼

Volumn 114, Issue 15, 2001, Pages 6925-6936

Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes

(5) Billeter, Salomon R a Webb, Simon P a Iordanov, Tzvetelin a Agarwal, Pratul K a Hammes Schiffer, Sharon a

a PENNSYLVANIA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONIC PROPERTIES; ENZYMES; FREE ENERGY; HYDROGEN; MOLECULAR VIBRATIONS; NUCLEAR PROPERTIES; PERTURBATION TECHNIQUES; PROTONS; QUANTUM THEORY;

ELECTRONIC QUANTUM EFFECT; HYDROGEN TRANSFER REACTION; MULTIDIMENSIONAL VIBRATIONAL WAVE FUNCTION; NUCLEAR QUANTUM EFFECT; SURFACE HOPPING METHOD;

MOLECULAR DYNAMICS;

EID: 0035870566 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1356441 Document Type: Article

Times cited : (119)

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