SEMI-EMPIRICAL CALCULATIONS OF DIHYDROPYRAN CONFORMATIONS

被引:8
|
作者
JANKOWSKI, K
机构
来源
ORGANIC MAGNETIC RESONANCE | 1980年 / 13卷 / 05期
关键词
D O I
10.1002/mrc.1270130518
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
引用
收藏
页码:380 / 383
页数:4
相关论文
共 50 条
  • [41] SEMI-EMPIRICAL SCF-CALCULATIONS ON THE HYDROXYPYRIDINE-PYRIDONE-TAUTOMERISM
    FABIAN, W
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 1979, 34 (02): : 266 - 270
  • [42] SEMI-EMPIRICAL SCF-CALCULATIONS ON THE HYDROXYPYRIMIDINE-PYRIMIDONE TAUTOMERISM
    FABIAN, W
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 1979, 34 (06): : 871 - 873
  • [43] Predicting the reactivity of fluorinated compounds with copper using semi-empirical calculations
    Heaton, CA
    Miller, AK
    Powell, RL
    JOURNAL OF FLUORINE CHEMISTRY, 2001, 107 (01) : 1 - 3
  • [44] A comment on some approximations for the resonance integrals used in semi-empirical calculations
    Wratten, R. J.
    CHEMICAL PHYSICS LETTERS, 1968, 1 (13) : 667 - 668
  • [45] Semi-empirical calculations on the stability and reactivity of NHx species on metal surfaces
    Cholach, AR
    Bulgakov, NN
    Nieuwenhuys, BE
    CATALYSIS LETTERS, 2003, 86 (1-3) : 9 - 16
  • [46] VARIATION OF CORE RESONANCE INTEGRAL IN SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS
    FARBROT, EM
    SKANCKE, PN
    ACTA CHEMICA SCANDINAVICA, 1970, 24 (07): : 2652 - &
  • [47] Semi-empirical calculations of oscillator strengths and hyperfine constants for Ti II
    Ruczkowski, J.
    Elantkowska, M.
    Dembczynski, J.
    JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2014, 149 : 168 - 183
  • [48] Semi-empirical (PM3) calculations on β-diketones and their ZnII complexes
    Prasad, R. N.
    Sharma, Anamika
    JOURNAL OF THE INDIAN CHEMICAL SOCIETY, 2009, 86 (05) : 524 - 527
  • [49] Assessment of semi-empirical molecular orbital calculations for describing magnetic interactions
    Saito, Toru
    Kitagawa, Yasutaka
    Kawakami, Takashi
    Yamanaka, Shusuke
    Okumura, Mitsutaka
    Takano, Yu
    POLYHEDRON, 2017, 136 : 52 - 57
  • [50] Spectrum of copper phthalocyanine: Experiments and semi-empirical quantum chemical calculations
    Li, Fang
    Zheng, Qiguang
    Yang, Guang
    Dai, Nengli
    Lu, Peixiang
    PHYSICA B-CONDENSED MATTER, 2008, 403 (10-11) : 1704 - 1707