PROTON CHEMICAL-SHIFT TENSORS IN NEUTRAL AND IONIC O-H= O HYDROGEN-BONDS

被引：34

作者：

ROHLFING, CM ^{[1
]}

ALLEN, LC ^{[1
]}

DITCHFIELD, R ^{[1
]}

机构：

[1] DARTMOUTH COLL,DEPT CHEM,HANOVER,NH 03755

来源：

CHEMICAL PHYSICS LETTERS | 1982年 / 86卷 / 04期

关键词：

D O I：

10.1016/0009-2614(82)83527-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：380 / 383

页数：4

共 14 条

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[2] STRONG, POSITIVE-ION HYDROGEN-BONDS - THE BINARY COMPLEXES FORMED FROM NH3, OH2, FH, PH3, SH2, AND CIH [J].

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[4] SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS [J].

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[5]

DITCHFIELD R, 1976, CHEM PHYS LETT, V40, P53, DOI 10.1016/0009-2614(76)80119-4

[6] MOLECULAR-ORBITAL STUDIES OF NMR HYDROGEN-BOND SHIFT [J].

DITCHFIELD, R ;

MCKINNEY, RE .

CHEMICAL PHYSICS, 1976, 13 (03) :187-194

[7] ACCURACY OF AH EQUILIBRIUM GEOMETRIES BY SINGLE DETERMINANT MOLECULAR-ORBITAL THEORY [J].

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[8]

HEHRE WJ, 1973, GAUSSIAN70

[9]

LUNDGREN JO, 1976, HYDROGEN BOND, V2, P471

[10]

PRADO FR, 1981, THEOR CHIM ACTA, V59, P55, DOI 10.1007/BF00574436

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