MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2

被引：382
|
作者：
BONACCOR.R
SCROCCO, E
TOMASI, J
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1970年 / 52卷 / 10期
关键词：
D O I：
10.1063/1.1672775
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：5270 / &
相关论文
共 50 条
  • [31] PREPARATION, CRYSTAL AND MOLECULAR-STRUCTURE OF [UO2(O-OC6H4-CH=N(CH2)2NH(CH2)2N(CH3)2)NO3].CH2CL2
    BANDOLI, G
    CLEMENTE, DA
    CINGI, MB
    JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1975, 37 (7-8): : 1709 - 1714
  • [32] Synthesis and characterization of [NH3(CH2)2NH2(CH2)2NH3]BiCl6
    Xu, G
    Fu, ML
    Cai, LZ
    Zhang, ZJ
    Guo, GC
    Huang, JS
    CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2006, 25 (03) : 338 - 342
  • [33] BUTENE-1,(CH2=CH-CH2-CH3)
    SHINOHARA, Y
    JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN, 1985, 43 (09) : 899 - 900
  • [34] Syntheses and Structures of Two New Borates: [NH3(CH2)3N(CH2)4N(CH2)3NH3][B5O6(OH)4]2 and [NH2(CH2)4N(CH2)2NH3][B7O10(OH)3]
    Wu, Lian-Zhi
    Cheng, Lin
    Yang, Guo-Yu
    JOURNAL OF CLUSTER SCIENCE, 2013, 24 (03) : 811 - 820
  • [35] Syntheses and Structures of Two New Borates: [NH3(CH2)3N(CH2)4N(CH2)3NH3][B5O6(OH)4]2 and [NH2(CH2)4N(CH2)2NH3][B7O10(OH)3]
    Lian-Zhi Wu
    Lin Cheng
    Guo-Yu Yang
    Journal of Cluster Science, 2013, 24 : 811 - 820
  • [36] STRUCTURAL STUDIES (GAS ELECTRON-DIFFRACTION, VIBRATIONAL-SPECTRA, HE(I) PHOTOELECTRON-SPECTRA (PES), AND MOLECULAR-ORBITAL CALCULATIONS) ON GASEOUS METHYLENEBIS(PHOSPHANE), CH2(PH2)2, AND THE PES OF THE SERIES CH2(PHME)2 CH2(PHPRI)2, CH2(PHBUT)2, CH2(PME2)2, CH2(PPRICL)2, CH2(PBUTCL)2,CH2(PCL2)2L
    KNUPPEL, PC
    PAWELKE, G
    SOMMER, H
    STELZER, O
    OBERHAMMER, H
    LAPPERT, MF
    SUFFOLK, RJ
    WATTS, JD
    JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1988, 355 (1-3) : 55 - 70
  • [37] ACCEPTOR PROPERTIES AND CONFORMATION ISOMERISM IN CH2=CH-PF2, CH2=CH-PCL2 COMPOUNDS
    ARSHINOVA, RP
    ERMOLAEVA, LV
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1990, 68 (1-2): : 1 - 8
  • [38] INFRARED SPECTRUM OF CH2=CHCF3 AND CH2=CHSIF
    CROWDER, GA
    SMYRL, N
    JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10): : 4102 - &
  • [39] [PDCL2(PPH3)(CN-(CH2)3-O-C(O)-CH=CH2)] AND [PDCL2(PPH3)(C-N(H)-CH2-CH2-N-(CH2)3-O-C(O)-CH=CH2)] - PROTOTYPES OF NOVEL ORGANOMETALLIC VINYL MONOMERS
    CASELLATO, U
    CORAIN, B
    ZECCA, M
    MICHELIN, RA
    MOZZON, M
    GRAZIANI, R
    INORGANICA CHIMICA ACTA, 1989, 156 (02) : 165 - 167
  • [40] CHEMISTRY OF ORGANOMETAL METALLACYCLIC SIDE-GROUP METAL-COMPOUNDS .8. SYNTHESIS AND PROPERTIES OF LI2PD(CH2(CH2)2CH2)2(D)X - MOLECULAR-STRUCTURE OF [LI(THF)2]2PD(CH2(CH2)2CH2)2
    FROHLICH, HO
    WYRWA, R
    GORLS, H
    JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1993, 456 (01) : 7 - 12
12345