AN ABINITIO QUADRATIC FORCE-FIELD FOR METHYLDIBORANE

被引：7

作者：

KEEPORTS, DD ^{[1
]}

EGGERS, DF ^{[1
]}

机构：

[1] UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195

来源：

INORGANIC CHEMISTRY | 1984年 / 23卷 / 16期

关键词：

D O I：

10.1021/ic00184a026

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：2505 / 2509

页数：5

共 18 条

[1] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE [J].

BLOM, CE ;

ALTONA, C .

MOLECULAR PHYSICS, 1976, 31 (05) :1377-1391

[2] QUADRATIC VALENCE FORCE-FIELD FOR DIBORANE [J].

BLOM, CE ;

MULLER, A .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (07) :3397-3402

[3] RAMAN SPECTRA OF METHYLDIBORANES .2. MONOMETHYLDIBORANE AND TRIMETHYLDIBORANE, AND CHARACTERISTIC FREQUENCIES OF METHYLDIBORANES [J].

CARPENTER, JH ;

JONES, WJ ;

JOTHAM, RW ;

LONG, LH .

SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1971, A 27 (09) :1721-+

[4] RAMAN SPECTRA OF METHYLDIBORANES .1. 1,1-DIMETHYLDIBORANE AND TETRAMETHYLDIBORANE [J].

CARPENTER, JH ;

JONES, WJ ;

JOTHAM, RW ;

LONG, LH .

SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1970, A 26 (06) :1199-+

[5] MICROWAVE-SPECTRUM, DIPOLE-MOMENT, BARRIER TO INTERNAL-ROTATION OF 1,1-DIMETHYLDIBORANE [J].

CHIU, CW ;

BURG, AB ;

BEAUDET, RA .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :3562-3566

[6] MOLECULAR-STRUCTURE DETERMINATION OF METHYLDIBORANE [J].

CHIU, CW ;

BURG, AB ;

BEAUDET, RA .

INORGANIC CHEMISTRY, 1982, 21 (03) :1204-1208

[7] IR AND RAMAN-SPECTRA OF CIS-1,2-DIMETHYLDIBORANE AND TRANS-1,2-DIMETHYLDIBORANE [J].

EGGERS, DF ;

KOHLER, DA ;

RITTER, DM .

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1978, 34 (7-8) :731-748

[8] TORSIONAL FREQUENCIES IN THE FAR INFRARED .1. MOLECULES WITH A SINGLE METHYL ROTOR [J].

FATELEY, WG ;

MILLER, FA .

SPECTROCHIMICA ACTA, 1961, 17 (08) :857-868

[9] ELECTRON-DIFFRACTION INVESTIGATIONS OF THE MOLECULAR-STRUCTURES OF CIS-1,2-DIMETHYLDIBORANE AND TRANS-1,2-DIMETHYLDIBORANE [J].

HEDBERG, L ;

HEDBERG, K ;

KOHLER, DA ;

RITTER, DM ;

SCHOMAKER, V .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (10) :3430-3434

[10] CALCULATION OF ENERGY LEVELS FOR INTERNAL TORSION AND OVER-ALL ROTATION .3. [J].

HERSCHBACH, DR .

JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (01) :91-108

← 1 2 →