SCOPUS 정보 검색 플랫폼

ACS Symposium Series

Volumn 1052, Issue , 2010, Pages 299-332

New methods to find accurate reaction coordinates by path sampling

(2) Beckham, Gregg T a Peters, Baron b,c

a NATIONAL RENEWABLE ENERGY LABORATORY (United States)

b University of California (United States)

c UNIVERSITY OF CALIFORNIA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY BARRIERS; FREE ENERGY; RATE CONSTANTS;

ACTIVATED PROCESS; EQUILIBRIUM PATH; HIGH-DIMENSIONAL SYSTEMS; MOLECULAR SIMULATIONS; PATH SAMPLING; REACTION COORDINATES; TRANSITION PATH SAMPLING; TRANSITION STATE;

COMPUTATION THEORY;

EID: 84905496835 PISSN: 00976156 EISSN: 19475918 Source Type: Book Series
DOI: 10.1021/bk-2010-1052.ch013 Document Type: Conference Paper

Times cited : (4)

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