THE MMP2 CALCULATIONAL METHOD

被引:282
作者
SPRAGUE, JT [1 ]
TAI, JC [1 ]
YUH, Y [1 ]
ALLINGER, NL [1 ]
机构
[1] UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
关键词
D O I
10.1002/jcc.540080504
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:581 / 603
页数:23
相关论文
共 67 条
[1]   MOLECULAR-STRUCTURE OF CYCLOHEPTADIENE [J].
ALLINGER, NL ;
SPRAGUE, JT .
TETRAHEDRON, 1973, 29 (23) :3811-3812
[2]   CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].
ALLINGER, NL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (25) :8127-8134
[3]   CONFORMATIONAL ANALYSIS .69. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF HYDROCARBONS [J].
ALLINGER, NL ;
TRIBBLE, MT ;
MILLER, MA ;
WERTZ, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (07) :1637-&
[4]   SYNTHESIS, STRUCTURE, AND PROPERTIES OF [7]PARACYCLOPHANE RING-SYSTEM [J].
ALLINGER, NL ;
WALTER, TJ ;
NEWTON, MG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (14) :4588-4597
[5]   CALCULATION OF STRUCTURES OF HYDROCARBONS CONTAINING DELOCALIZED ELECTRONIC SYSTEMS BY MOLECULAR MECHANICS METHOD [J].
ALLINGER, NL ;
SPRAGUE, JT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (12) :3893-3907
[6]   CONFORMATIONAL-ANALYSIS .104. STRUCTURES, ENERGIES, AND ELECTRONIC ABSORPTION-SPECTRA OF [N]PARACYCLOPHANES [J].
ALLINGER, NL ;
SPRAGUE, JT ;
LILJEFOR.T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (16) :5100-5104
[7]   BICYCLO(6.2.0)DECAPENTAENE [J].
ALLINGER, NL ;
YUH, YH .
PURE AND APPLIED CHEMISTRY, 1983, 55 (02) :191-197
[8]   HEAT CAPACITY AND THERMODYNAMIC PROPERTIES OF [2.2]PARACYCLOPHANE - MECHANISM OF 50-DEGREES K TRANSITION [J].
ANDREWS, JTS ;
WESTRUM, EF .
JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (10) :2170-+
[9]   RING INVERSION IN CYCLOHEPTATRIENE [J].
ANET, FAL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (03) :458-&
[10]  
[Anonymous], 1976, ADV PHYS ORG CHEM