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Volumn 110, Issue 12, 2010, Pages 2172-2178

Influence of thermostats on the calculations of heat capacities from Born-Oppenheimer molecular dynamics simulations

Author keywords

Born Oppenheimer molecular dynamics simulations; Density functional theory; Finite systems; Thermostats

Indexed keywords

BORN-OPPENHEIMER MOLECULAR DYNAMICS; BORN-OPPENHEIMER MOLECULAR DYNAMICS SIMULATIONS; COPPER DIMERS; FINITE SYSTEMS; HEAT CAPACITIES; HEAT CAPACITY CURVES; IDEAL GAS; PHASE SPACE DISTRIBUTIONS; POLYATOMICS; TEMPERATURE DEPENDENCIES; TEMPERATURE PROFILES;

EID: 77955131416     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22518     Document Type: Article
Times cited : (21)

References (14)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.