RELIABILITY OF QUANTUM CHEMICAL PREDICTIONS OF CHEMICAL REACTIVITY

被引：0
|
作者：
KLOPMAN, G [1 ]
机构：
[1] CASE WESTERN RESERVE UNIV,DEPT CHEM,CLEVELAND,OH 44106
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1977年 / 174卷 / SEP期
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：106 / 106
页数：1
相关论文
共 50 条
  • [21] Quantum Mechanical Tunneling Is Essential to Understanding Chemical Reactivity
    Schreiner, Peter R.
    TRENDS IN CHEMISTRY, 2020, 2 (11): : 980 - 989
  • [22] Electronic Structure and Reactivity of Guanylthiourea: A Quantum Chemical Study
    Mehdi, Ahmed
    Adane, Legesse
    Patel, Dhilon S.
    Bharatam, Prasad V.
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 31 (06) : 1259 - 1267
  • [23] QUANTUM CHEMICAL PREDICTIONS CONCERNING 2 UNKNOWN MESOIONIC COMPOUNDS
    PAOLONI, L
    CIAMPI, A
    JOURNAL OF HETEROCYCLIC CHEMISTRY, 1968, 5 (01) : 7 - +
  • [24] Quantum-chemical predictions of redox potentials of carbamates in methanol
    Haya, Luisa
    Sayago, Francisco J.
    Mainar, Ana M.
    Cativiela, Carlos
    Urieta, Jose S.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (39) : 17696 - 17703
  • [25] Quantum-Chemical Predictions of pKa's of Thiols in DMSO
    Yu, Hai-Zhu
    Yang, Yi-Meng
    Zhang, Liang
    Dang, Zhi-Min
    Hu, Guo-Hua
    JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 118 (03): : 606 - 622
  • [26] The Many Roles of Quantum Chemical Predictions in Synthetic Organic Chemistry
    Nguyen, Quynh Nhu N.
    Tantillo, Dean J.
    CHEMISTRY-AN ASIAN JOURNAL, 2014, 9 (03) : 674 - 680
  • [27] TOWARD A METHODOLOGY FOR EVALUATING RELIABILITY OF QUANTUM CHEMICAL CALCULATIONS
    RANSIL, BJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1977, 174 (SEP): : 126 - 126
  • [28] Chemical reactivity
    Chattaraj, PK
    JOURNAL OF CHEMICAL SCIENCES, 2005, 117 (05) : 367 - 367
  • [29] CORRELATION OF THE REACTIVITY OF AZOMETHINES AND C-13 CHEMICAL-SHIFT WITH QUANTUM CHEMICAL DATES
    KOMENDA, J
    SCHLEINITZ, KD
    HESS, U
    ZEITSCHRIFT FUR CHEMIE, 1984, 24 (01): : 25 - 25
  • [30] Local Reactivity on Carbon Quantum Dots: The Influence of the Geometries and Chemical Doping for Chemical Sensor Applications
    Alves, Gabriel G. B.
    Batagin-Neto, Augusto
    JOURNAL OF PHYSICAL CHEMISTRY C, 2023,
12345