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Volumn , Issue 11, 2006, Pages 2166-2174

Kinetic and thermodynamic aspects of the CT and T-shaped adduct formation between 1,3-dimethylimidazoline-2-thione (or -2-selone) and halogens

Author keywords

Density functional calculations; Donor acceptor systems; Hypervalent compounds; Selenium; Sulfur

Indexed keywords

DENSITY FUNCTIONAL THEORY; SELENIUM; SULFUR;

EID: 33745173825     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200501045     Document Type: Article
Times cited : (21)

References (44)
  • 41
    • 85153244033 scopus 로고    scopus 로고
    • note
    • This technique was developed in our laboratory to overcome the problem of the presence of n-order saddle points in the research of transition states. In fact, starting from an n-order saddle point, the technique allows us to obtain a transition state, i.e. a first-order saddle point, in n - 1 optimisation steps.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.