THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA .2. FORCE-FIELD, SPECTROSCOPICALLY REFINED GEOMETRY, AND REASSIGNMENT OF THE VIBRATIONAL-SPECTRUM OF NAPHTHALENE

被引：134
|
作者：
SELLERS, H [1 ]
PULAY, P [1 ]
BOGGS, JE [1 ]
机构：
[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1985年 / 107卷 / 23期
关键词：
D O I：
10.1021/ja00309a011
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：6487 / 6494
页数：8
相关论文
共 50 条
  • [1] THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA - THE HARMONIC FORCE-FIELD AND THE VIBRATIONAL-SPECTRUM OF 4-METHYLPYRIDINE
    FAN, K
    BOGGS, JE
    TETRAHEDRON, 1986, 42 (05) : 1265 - 1274
  • [2] THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA .1. THE INPLANE FORCE-FIELD AND VIBRATIONAL-SPECTRA OF PYRIDINE
    PONGOR, G
    PULAY, P
    FOGARASI, G
    BOGGS, JE
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (10) : 2765 - 2769
  • [3] THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA - THE OUT-OF-PLANE FORCE-FIELD AND VIBRATIONAL-SPECTRA OF PYRIDINE
    PONGOR, G
    FOGARASI, G
    BOGGS, JE
    PULAY, P
    JOURNAL OF MOLECULAR SPECTROSCOPY, 1985, 114 (02) : 445 - 453
  • [4] A THEORETICAL-STUDY OF THE VIBRATIONAL-SPECTRA, GEOMETRY AND FORCE-FIELD OF THIOUREA
    VIJAY, A
    SATHYANARAYANA, DN
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1993, 49 (11) : 1565 - 1574
  • [5] THEORETICAL PREDICTION OF THE VIBRATIONAL-SPECTRUM, GEOMETRY, AND SCALED QUANTUM-MECHANICAL FORCE-FIELD FOR PHENYLACETYLENE
    CSASZAR, AG
    FOGARASI, G
    BOGGS, JE
    JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (22): : 7644 - 7651
  • [6] VIBRATIONAL-SPECTRUM AND FORCE-FIELD OF TRIALKYLAMINEALAN
    KOPTEV, GS
    STEPANOV, NF
    SEMENENK.KN
    BULYCHEV, BM
    VESTNIK MOSKOVSKOGO UNIVERSITETA SERIYA 2 KHIMIYA, 1974, (01): : 42 - 48
  • [7] VIBRATIONAL-SPECTRUM AND FORCE-FIELD OF TRIMETHYLAMINOBORANE
    PANTELKIN, VP
    KOPTEV, GS
    VESTNIK MOSKOVSKOGO UNIVERSITETA SERIYA 2 KHIMIYA, 1977, 18 (02): : 175 - 180
  • [8] THEORETICAL FORCE-FIELD AND VIBRATIONAL-SPECTRUM OF URACIL BY THE CNDO/2 FORCE METHOD
    HARSANYI, L
    CSASZAR, P
    ACTA CHIMICA HUNGARICA-MODELS IN CHEMISTRY, 1983, 113 (03): : 257 - &
  • [9] VIBRATIONAL-SPECTRUM AND FORCE-FIELD OF TRIMETHYLMETHOXYSILANE
    TENISHEVA, TF
    LAZAREV, AN
    USPENSKAYA, RI
    JOURNAL OF MOLECULAR STRUCTURE, 1977, 37 (02) : 173 - 186
  • [10] THEORETICAL FORCE-FIELD AND VIBRATIONAL-SPECTRUM OF MALEIMIDE BY THE CNDO/2 FORCE METHOD
    HARSANYI, L
    CSASZAR, P
    FOGARASI, G
    HORVATH, G
    SZILAGYI, I
    THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1983, 13 (1-2): : 79 - 89
12345