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Volumn 110, Issue 7, 2006, Pages 2486-2492

Reliable low-cost theoretical procedures for studying addition- fragmentation in RAFT polymerization

Author keywords

[No Author keywords available]

Indexed keywords

ENTHALPY; ERROR ANALYSIS; LARGE SCALE SYSTEMS; PROBABILITY DENSITY FUNCTION;

EID: 33644898116     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp055158q     Document Type: Article
Times cited : (86)

References (41)
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    • Chem Abstr. 1999, 130, 82018.
    • (1999) Chem Abstr. , vol.130 , pp. 82018
  • 23
    • 33644912729 scopus 로고    scopus 로고
    • note
    • Note that the ONIOM approach can also be applied to the calculation of geometries and frequencies. However, in the present work, we are able to perform all geometry optimizations and frequency calculations on the full systems, and merely use ONIOM to correct the energetics of the reaction.
  • 24


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.