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Volumn 135, Issue 4, 2011, Pages

Efficient calculation of α- And β-nitrogen free energies and coexistence conditions via overlap sampling with targeted perturbation

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC CONTRIBUTIONS; ENTROPY CHANGES; FREE ENERGY PERTURBATION; FREE-ENERGY CALCULATIONS; FREE-ENERGY DIFFERENCE; HARMONIC COORDINATES; LOW TEMPERATURES; NITROGEN MODELS; NITROGEN MOLECULE; NOVEL METHODS; PHASE-SPACE OVERLAP; ROTATIONAL DEGREES OF FREEDOM; SOLID-PHASE; SYSTEM SIZE; TRANSITION PROPERTIES;

EID: 79961053365     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3615941     Document Type: Article
Times cited : (9)

References (29)
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.