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Volumn 112, Issue 26, 2008, Pages 7937-7947

Efficient calculation of charge-transfer matrix elements for hole transfer in DNA

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; DNA; DYNAMICS; ELECTRIC INSTRUMENT TRANSFORMERS; ELECTRONIC STRUCTURE; GENES; MECHANICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; ORGANIC ACIDS; PARAMETER ESTIMATION; QUANTUM CHEMISTRY; QUANTUM THEORY; TRANSFER MATRIX METHOD;

EID: 47749098856     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801486d     Document Type: Article
Times cited : (158)

References (96)
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    • Although the nearly uncompressed basis functions (with the 8-7 basis set) lead to very good values of the off-diagonal Tij, the diagonal εi are changed quite significantly, leading to larger deviations from the PBE single-particle values
    • i are changed quite significantly, leading to larger deviations from the PBE single-particle values.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.