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International Journal of Quantum Chemistry

Volumn 88, Issue 4, 2002, Pages 449-462

NANOPACK: Parallel codes for semiempirical quantum chemical calculations of large systems in the sp- and spd-basis

(5) Berzigiyarov, Parvaz K a Zayets, Valentin A a Ginzburg, Ilya Ya a Razumov, Vladimir F a Sheka, Elena F b

a INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS (Russian Federation)

b PEOPLES FRIENDSHIP UNIVERSITY OF RUSSIA (Russian Federation)

Author keywords

NANOPACK parallel codes; Quantum chemistry; Semiempirical NDDO and NDDO WF approaches; sp and spd basis

Indexed keywords

CODES (SYMBOLS); DATA ACQUISITION; LARGE SCALE SYSTEMS; MOLECULAR PHYSICS; PARALLEL ALGORITHMS; PARALLEL PROCESSING SYSTEMS; PROGRAM PROCESSORS; SUPERCOMPUTERS;

SEMIEMPIRICAL QUANTUM CHEMICAL CALCULATIONS;

QUANTUM THEORY;

EID: 0037097262 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.10193 Document Type: Conference Paper

Times cited : (30)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.