MP2/6-31G*//MP2/6-31G vibrational assignment of the s-trans and s-cis rotamers of 2-fluoropropenoyl fluoride, CH2-CF-CF-O

被引：0
|
作者：
Mare, G.R.
Panchenko, Y.R.
机构：
来源：
Journal of Physical Chemistry | 1994年 / 98卷 / 34期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 34 条
  • [1] MP2/6-31G-ASTERISK/MP2/6-31G-ASTERISK VIBRATIONAL ASSIGNMENTS OF THE S-TRANS AND S-CIS ROTAMERS OF 2-FLUOROPROPENOYL FLUORIDE, CH2=CF-CF=O
    DEMARE, GR
    PANCHENKO, YN
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (34): : 8315 - 8319
  • [2] AN MP2/6-31G-ASTERISK//MP2/6-31G-ASTERISK VIBRATIONAL ANALYSIS OF S-TRANS-ACRYLOL AND S-CIS-ACRYLOYL FLUORIDE, CH2=CH-CF=O
    DEMARE, GR
    PANCHENKO, YN
    BOCK, CW
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (05): : 1416 - 1420
  • [3] A MP2/6-31G*intermolecular potential energy surface for the F2-F2 system
    Noorbala, MR
    Sabzyan, H
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 678 (1-3): : 67 - 76
  • [4] Conformational properties of dimethylaminobenzonitrile in gas phase and polar solvents:: ab initio HF/6-31G(d,p) and MP2/6-31G(d,p) investigations
    Quiñones, E
    Ishikawa, Y
    Leszczynski, J
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 529 : 127 - 134
  • [5] Solvation effects on alanine dipeptide:: A MP2/cc-pVTZ//MP2/6-31G** study of (Φ, Ψ) energy maps and conformers in the gas phase, ether, and water
    Wang, ZX
    Duan, Y
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 25 (14) : 1699 - 1716
  • [6] Comparison of ab initio HF / 6-31G**, HF / 6-31 + +G** and MP2 / 6-31G** calculated infrared spectra of 4(3H)-pyrimidinone and 4-hydroxypyrimidine with matrix isolation spectra
    Lapinski, L.
    Nowak, M.J.
    Les, A.
    Adamowicz, L.
    Vibrational Spectroscopy, 1995, 8 (03):
  • [7] Further investigation of the HCl elimination in the photodissociation of vinyl chloride at 193 nm:: a direct MP2/6-31G(d,p) trajectory study
    Martínez-Núñez, E
    Vázquez, SA
    Aoiz, FJ
    Bañares, L
    Castillo, JF
    CHEMICAL PHYSICS LETTERS, 2004, 386 (4-6) : 225 - 232
  • [8] RRKM and direct MP2/6-31G(d,p) quasiclassical trajectory study of the H2 elimination in the photodissociation of vinyl chloride at 193 nm
    González-Vázquez, J
    Martínez-Nañez, E
    Vázquez, S
    Santamaría, J
    Bañares, L
    CHEMICAL PHYSICS LETTERS, 2004, 396 (4-6) : 442 - 447
  • [9] MP2/6-31G-ASTERISK STRUCTURAL STUDY OF TROPONE AND TROPOLONE MOLECULES
    SANNA, N
    RAMONDO, F
    BENCIVENNI, L
    JOURNAL OF MOLECULAR STRUCTURE, 1994, 318 : 217 - 235
  • [10] G3(MP2) study of the reaction of O(3p) with CF3CH=CH2
    Du, Benni
    Zhang, Weichao
    Mu, Lailong
    Feng, Changjun
    Qin, Zhenglong
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2007, 821 (1-3): : 82 - 88
1234