POTENTIAL-ENERGY SURFACE DETERMINATIONS FOR NON-RIGID MOLECULES - APPLICATION TO ACETONE

被引：20

作者：

SMEYERS, YG ^{[1
]}

BELLIDO, MN ^{[1
]}

机构：

[1] UNIV ERLANGEN NURNBERG,LEHRSTUHL THEORET CHEM,D-8520 ERLANGEN,FED REP GER

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年 / 23卷 / 02期

关键词：

D O I：

10.1002/qua.560230221

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：507 / 516

页数：10

共 50 条

[1] POTENTIAL-ENERGY SURFACE DETERMINATION FOR NON RIGID MOLECULES - 2-ROTOR MOLECULES
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[J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1984, 16 (FEB): : 3 - 21
[2] ABINITIO CALCULATION OF POTENTIAL-ENERGY SURFACE AND GEOMETRIC STRUCTURE OF LIBH4 NON-RIGID COMPLEX MOLECULE
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CHARKIN, OP
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AVDEEV, VI
[J]. CHEMICAL PHYSICS LETTERS, 1976, 44 (01) : 20 - 24
[3] POTENTIAL-ENERGY SURFACE FOR THE STUDY OF INELASTIC-COLLISIONS BETWEEN NON-RIGID CO AND H-2
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (05): : 2345 - 2354
[4] APPLICATION OF THE THEORY OF SYMMETRY OF NON-RIGID MOLECULES TO THE CALCULATION OF THE CONFORMATIONAL DEPENDENCES OF THE TORSIONAL POTENTIAL AND DIPOLE-MOMENT OF ACETONE-RELATED MOLECULES
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MARUANI, J
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 22 (01) : 115 - 125
[5] Determination of the kinetic energy parameters of non-rigid molecules
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[J]. CHEMICAL PHYSICS LETTERS, 1998, 296 (3-4) : 299 - 306
[6] POTENTIAL-ENERGY HYPERSURFACE DETERMINATION FOR NON-RIGID MOLECULES .2. SINGLE, DOUBLE INTERNAL-ROTATION, AND WAGGING VIBRATION MODES
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BELLIDO, MN
NINO, A
[J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1988, 43 : 1 - 10
[7] STEREOCHEMICALLY NON-RIGID MOLECULES
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[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1972, 164 (AUG-S): : 38 - +
[8] NONRIGID MOLECULES IN SOLUTION - INTERNAL POTENTIAL-ENERGY SURFACE FOR ACETONE DISSOLVED IN CARBON-DISULFIDE
SESE, LM
BOTELLA, V
GOMEZ, PC
[J]. JOURNAL OF MOLECULAR LIQUIDS, 1986, 32 (04) : 259 - 278
[9] ISOMETRIC GROUP OF NON-RIGID MOLECULES - NEW APPROACH TO SYMMETRY GROUPS OF NON-RIGID MOLECULES
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[J]. MOLECULAR PHYSICS, 1974, 28 (05) : 1305 - 1343
[10] Neural modeling of torsional potential hypersurfaces in non-rigid molecules
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[J]. Computers & Chemistry, 22 (05): : 355 - 361

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