QUANTUM-MECHANICAL APPROACH TO IR INTENSITIES VIA NUCLEAR ELECTRIC SHIELDING TENSORS .1. WATER

被引：43

作者：

LAZZERETTI, P ^{[1
]}

ZANASI, R ^{[1
]}

机构：

[1] UNIV MODENA,CTR CALCOLO ELETTR,I-41100 MODENA,ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 03期

关键词：

D O I：

10.1063/1.449434

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：1218 / 1222

页数：5

共 34 条

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[13]

LAZZERETTI P, 1982, PHYS REV A, V25, P1790, DOI 10.1103/PhysRevA.25.1790.3

[14] CONNECTION BETWEEN THE NUCLEAR ELECTRIC SHIELDING TENSOR AND THE INFRARED INTENSITY [J].

LAZZERETTI, P ;

ZANASI, R .

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[15] THEORY OF NUCLEAR ELECTRIC SHIELDING IN MOLECULES [J].

LAZZERETTI, P ;

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PHYSICAL REVIEW A, 1981, 24 (04) :1696-1704

[16] PERTURBED HARTREE-FOCK CALCULATIONS - ELECTRIC AND MAGNETIC-PROPERTIES OF WATER IN STATIC FIELDS [J].

LAZZERETTI, P ;

ZANASI, R .

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[17] RESOLUTION OF MOLECULAR POLARIZABILITY INTO ATOMIC TERMS [J].

LAZZERETTI, P ;

ZANASI, R .

CHEMICAL PHYSICS LETTERS, 1984, 109 (01) :89-91

[18] LOCALIZED 2ND-ORDER ELECTRIC PROPERTIES IN WATER, AMMONIA AND METHANE [J].

LAZZERETTI, P ;

ROSSI, E ;

ZANASI, R .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1984, 80 :235-241

[19] EQUATION-OF-MOTION APPROACH TO FREQUENCY-DEPENDENT NUCLEAR ELECTRIC SHIELDING TENSORS IN THE HF MOLECULE [J].

LAZZERETTI, P ;

ROSSI, E ;

ZANASI, R .

PHYSICAL REVIEW A, 1983, 27 (03) :1301-1309

[20]

LAZZERETTI P, J CHEM PHYS

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