SCOPUS 정보 검색 플랫폼

Volumn 55, Issue 3, 1971, Pages 1236-1244

Molecular orbital studies of hydrogen bonds. III. C=O ⋯H-O hydrogen bond in H2CO ⋯H2O and H2CO ⋯2H2O

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36849107181 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1676210 Document Type: Article

Times cited : (1587)

References (31)

1
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- Paper I.
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- Morokuma, K.¹ Pedersen, L.²

2
- 0007833708
- Paper II.
- (1970) J. Chem. Phys. , vol.52 , pp. 1301
- Morokuma, K.¹ Winick, J.²

3
- 0001268340
- (1969) J. Chem. Phys. , vol.51 , pp. 3286
- Kollman, P.A.¹ Allen, L.C.²

5
- 84859790636
- (1970) J. Chem. Phys. , vol.52 , pp. 4858
- Del Bene, J.¹ Pople, J.A.²

7
- 0000439802
- (1970) J. Chem. Phys. , vol.52 , pp. 5085
- Kollman, P.A.¹ Allen, L.C.²

8
- 0003722102
- General references. (a)
- Freeman, San Francisco
- (1960) The Hydrogen Bond
- Pimentel, G.¹ McClellan, A.L.²

16
- 84951242750
- (private communication) report the “electrostatic energy” of 4.50 kcal/mole and the “delocalization energy” of 3.05 kcal/mole for [formula omitted] at [formula omitted] and [formula omitted] These values are quite different from our [formula omitted] and [formula omitted] at [formula omitted] and [formula omitted] This discrepancy may be due to some difference in decomposition schemes or possibly due to the difference in basis functions.
- Kollman, P.A.¹ Allen, L.C.²

29
- 0001151903
- (1957) Proc. Roy. Soc. (London) , vol.A205 , pp. 163
- Pople, J.A.¹

31
- 84951242728
- (1954) Bull. Chem. Soc. Japan , vol.21 , pp. 415
- Tsubomura, H.¹

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