SCOPUS 정보 검색 플랫폼

The Journal of Chemical Physics

Volumn 103, Issue 9, 1995, Pages 3561-3577

Coupled-cluster calculations of nuclear magnetic resonance chemical shifts

(2) Gauss, Jürgen a Stanton, John F b

a UNIVERSITY OF KARLSRUHE (Germany)

b UNIVERSITY OF TEXAS AT AUSTIN (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36449004178 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.470240 Document Type: Article

Times cited : (254)

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- The hydrogen shielding tensor is given for the hydrogen with negative y coordinate

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- The [formula omitted] basis consists for C, N, O of the [formula omitted] basis described in the text augmented by a single f function with exponents [formula omitted] for C, [formula omitted] for N, and [formula omitted] for O] from Ref. 91. For H, a [formula omitted] contraction (Ref. 90) augmented by two p function (for exponents and one d and f functions have been used. The optimized parameters are [formula omitted] [formula omitted] and [formula omitted] for [formula omitted] [formula omitted] [formula omitted] [formula omitted] and [formula omitted] for [formula omitted] and [formula omitted] and [formula omitted] for [formula omitted])
- Ref. 92

133
- 85034916311
- See, for example
- Ref. 11

134
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- The [formula omitted] basis is identical to the [formula omitted] basis except that for computational reasons only one f function is included
- The exponents for the latter have been taken from Ref. 91

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.