A program of computational chemistry exercises for the first-semester general chemistry course

被引：31

作者：

Feller, SE ^{[1
]}

Dallinger, RF ^{[1
]}

McKinney, PC ^{[1
]}

机构：

[1] Wabash Coll, Dept Chem, Crawfordsville, IN 47933 USA

来源：

JOURNAL OF CHEMICAL EDUCATION | 2004年 / 81卷 / 02期

关键词：

D O I：

10.1021/ed081p283

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：283 / 287

页数：5

共 14 条

[1] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].

BROOKS, BR ;

BRUCCOLERI, RE ;

OLAFSON, BD ;

STATES, DJ ;

SWAMINATHAN, S ;

KARPLUS, M .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217

[2]

Chavez DE, 2000, ANGEW CHEM INT EDIT, V39, P1791, DOI 10.1002/(SICI)1521-3773(20000515)39:10<1791::AID-ANIE1791>3.0.CO

[3]

2-9

[4]

Cotton F. A., 1972, ADV INORG CHEM, P1145

[5]

Frisch M.J., 1998, GAUSSIAN 98

[6] Molecular modeling in the undergraduate chemistry curriculum [J].

Jones, MB .

JOURNAL OF CHEMICAL EDUCATION, 2001, 78 (07) :867-868

[7] Introducing chemical computation early in the undergraduate chemistry curriculum [J].

Kantardjieff, KA ;

Hardinger, SA ;

Van Willis, W .

JOURNAL OF CHEMICAL EDUCATION, 1999, 76 (05) :694-697

[8] Integration of computational chemistry into the chemistry curriculum [J].

Martin, NH .

JOURNAL OF CHEMICAL EDUCATION, 1998, 75 (02) :241-243

[9] The use of molecular modeling and VSEPR theory in the undergraduate curriculum to predict the three-dimensional structure of molecules [J].

Pfennig, BW ;

Frock, RL .

JOURNAL OF CHEMICAL EDUCATION, 1999, 76 (07) :1018-1022

[10]

Shusterman GP, 1997, J CHEM EDUC, V74, P771

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