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Volumn 50, Issue 5, 2011, Pages 1723-1732

Solvent effects and dynamic averaging of 195Pt NMR shielding in cisplatin derivatives

Author keywords

[No Author keywords available]

Indexed keywords

ANTINEOPLASTIC AGENT; CISPLATIN; PLUTONIUM;

EID: 79952273832     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic102174b     Document Type: Article
Times cited : (61)

References (110)
  • 99
    • 79952273127 scopus 로고    scopus 로고
    • These values can be corrected by taking also into account the H-O distance (1.1 Å) of the water molecule and the van der Waals radius of hydrogen (1.2 Å)
    • These values can be corrected by taking also into account the H-O distance (1.1 Å) of the water molecule and the van der Waals radius of hydrogen (1.2 Å).
  • 104
    • 79952253760 scopus 로고    scopus 로고
    • Calculations performed with the PBE functional and at the MP2 level of theory yielded similar results
    • Calculations performed with the PBE functional and at the MP2 level of theory yielded similar results.
  • 105
    • 79952254603 scopus 로고    scopus 로고
    • To give the reader an idea about the computational effort, at this level of theory each configuration required less than 4 h on a system with dual 3.2 GHz Intel Xeon processors. With a scalar-ZORA approach, the computational time is reduced to less than 20 min
    • To give the reader an idea about the computational effort, at this level of theory each configuration required less than 4 h on a system with dual 3.2 GHz Intel Xeon processors. With a scalar-ZORA approach, the computational time is reduced to less than 20 min.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.