AM1 STUDY OF THE PROTONATION OF PTERIDINE-RELATED TETRAAZANAPHTHALENES

被引:12
作者
ANGUIANO, J
SANZ, JF
VILARRASA, J
机构
[1] UNIV BARCELONA 3,FAC CHEM,DEPT ORGAN CHEM,E-08028 BARCELONA,SPAIN
[2] UNIV SEVILLA,FAC CHEM,DEPT PHYS CHEM,E-41071 SEVILLA,SPAIN
关键词
D O I
10.1021/jo00252a002
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:3900 / 3903
页数:4
相关论文
共 28 条
[1]   COVALENT HYDRATION IN NITROGEN-HETEROCYCLES [J].
ALBERT, A .
ADVANCES IN HETEROCYCLIC CHEMISTRY, 1976, 20 :117-143
[2]  
ALDER RW, 1968, CHEM COMMUN, P723
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[4]  
BINKLEY JS, GAUSSIAN 82
[5]  
BINKLEY JS, 1976, INT J QUANTUM CHEM, V10, P1
[6]  
Bowers M. T., 1979, GAS PHASE ION CHEM, V2
[7]  
Castle R. N., 1984, COMPREHENSIVE HETERO, V3, P329, DOI DOI 10.1016/B978-008096519-2.00039-4
[8]   GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917
[9]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[10]   THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].
DEWAR, MJS ;
ZOEBISCH, EG ;
HEALY, EF ;
STEWART, JJP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3902-3909