ABINITIO MOLECULAR-ORBITAL CALCULATION AND SEMIEMPIRICAL ANALYSIS OF THE VIBRATIONAL FREQUENCIES AND FORCE-CONSTANTS OF ONF AND FON

被引：18

作者：

CURTISS, LA ^{[1
]}

MARONI, VA ^{[1
]}

机构：

[1] ARGONNE NATL LAB,DIV CHEM TECHNOL,ARGONNE,IL 60439

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1986年 / 90卷 / 01期

关键词：

D O I：

10.1021/j100273a014

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：56 / 61

页数：6

共 39 条

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[4] DETERMINATION OF THE DIPOLE-MOMENT OF NITROSYL FLUORIDE IN THE (001) AND (101) STATES BY COMBINATION OF MICROWAVE AND LASER STARK DATA
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[J]. CHEMICAL PHYSICS LETTERS, 1983, 96 (06) : 664 - 668
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[6] AN ABINITIO MOLECULAR-ORBITAL STUDY OF THE POTENTIAL-ENERGY SURFACE OF THE N2H-]N2+H SYSTEM
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POPLE, JA
[J]. CHEMICAL PHYSICS LETTERS, 1984, 103 (06) : 437 - 442
[7] MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF
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POPLE, JA
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 48 (03) : 413 - 426
[8] THE QUANTUM-MECHANICAL CALCULATION OF ROTATIONAL SPECTRA - A COMPARISON OF METHODS FOR C2H2, HCN, HNC, HCO+, N2H+, CO, AND N2 - PREDICTIONS FOR HCNH+, COH+, HBO, HBNH, AND HBF+
DEFREES, DJ
BINKLEY, JS
MCLEAN, AD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (08) : 3720 - 3725
[9] HIGH-RESOLUTION FOURIER-TRANSFORM SPECTROSCOPY OF THE NU-2 AND NU-3 FUNDAMENTALS OF NITROSYL FLUORIDE, FNO
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[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1984, 103 (01) : 176 - 186
[10] FRISCH M, 1984, J CHEM PHYS, V80, P3625

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