SCOPUS 정보 검색 플랫폼

21
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- As discussed in Refs. 20 and 25, variational collapse is a severe problem when conventional SCF procedures are applied to the [formula omitted] state of ketene. Consequently, the results given for the [formula omitted] state in Ref. 19 are invalid. In footnote 23 of their paper, Yamabe and Morokuma allude to this problem but do not indicate its severity.

22
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41
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42
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43
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45
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46
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53
- 84950575861
- The term transition state is conventionally applied to stationary points which exhibit only one imaginary frequency. The [formula omitted] stationary point does not qualify as a true transition state under this criterion, but it does have only one totally symmetric imaginary frequency, which involves dissociation of the C-C bond. Technically the term “stationary point of Hessian index 2” is applicable, but the less cumbersome term “super transition state” is used here.

54
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59
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- In going from the [formula omitted] to the [formula omitted] state, the C-C π bond is largely broken. In order to describe the π electron pair correlation in the [formula omitted] state which is not present in the [formula omitted] state, both the [formula omitted] and [formula omitted] configurations must be included.

60
- 0001629812
- The two-reference Davidson correction for the ground state is computed according to the formula [formula omitted] See, edited by P.-O. Löwdin and B. Pullman (Reidel, London) Twentieth International Symposium on Comb., The Comb. Institute)
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- See also
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- Handy, N.C.¹ Knowles, P.J.² Somasundram, K.³

71
- 84950575863
- The equilibrium structural parameters [formula omitted][formula omitted][formula omitted] and [formula omitted] have recently been estimated. See

72
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- Duncan, J.L.¹ Munro, B.²

73
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- Duncan, J.L.¹ Ferguson, A.M.² Harper, J.³ Tonge, K.H.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.