CALCULATION OF TWO-DIMENSIONAL VIBRATIONAL POTENTIAL-ENERGY SURFACES UTILIZING PREDIAGONALIZED BASIS-SETS AND VANVLECK PERTURBATION-METHODS

被引：114

作者：

HARTHCOCK, MA ^{[1
]}

LAANE, J ^{[1
]}

机构：

[1] TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1985年 / 89卷 / 20期

关键词：

D O I：

10.1021/j100266a017

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

收藏

页码：4231 / 4240

页数：10

相关论文

共 43 条

[1] ALLEN HC, 1963, MOL VIBROTORS
[2] [Anonymous], 1979, TOP CURR CHEM
[3] TWO-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR THE RING PUCKERING AND RING TWISTING OF CYCLOPENTENE-D0, CYCLOPENTENE-1-D1, CYCLOPENTENE-1,2,3,3-D4, AND CYCLOPENTENE-D8
BAUMAN, LE
KILLOUGH, PM
COOKE, JM
VILLARREAL, JR
LAANE, J
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (11) : 2000 - 2006
[4] BLACKWELL CS, 1972, VIBRATIONAL SPECTRA, V1, P1
[5] 2-DIMENSIONAL ANHARMONIC OSCILLATOR - APPLICATION TO 2,5-DIHYDROFURAN
CARREIRA, LA
PERSON, WB
MILLS, IM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) : 1444 - &
[6] TRIMETHYLENE OXIDE .2. STRUCTURE, VIBRATION-ROTATION INTERACTION, AND ORIGIN OF POTENTIAL FUNCTION FOR RING-PUCKERING MOTION
CHAN, SI
GWINN, WD
ZINN, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (04) : 1319 - +
[7] TRIMETHYLENE OXIDE .3. FAR-INFRARED SPECTRUM AND DOUBLE-MINIMUM VIBRATION
CHAN, SI
BORGERS, TR
RUSSELL, JW
STRAUSS, HL
GWINN, WD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (03) : 1103 - &
[8] TRIMETHYLENE OXIDE .1. MICROWAVE SPECTRUM, DIPOLE MOMENT, AND DOUBLE MINIMUM VIBRATION
CHAN, SI
ZINN, J
FERNANDEZ, J
GWINN, WD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (06) : 1643 - 1655
[9] Conte SD., 1972, ELEMENTARY NUMERICAL
[10] DURIG JR, 1972, VIBRATIONAL SPECTRA, V1, P73

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