The teaching of Quantum Chemistry and the computer from the perspective projects

被引：8

作者：

Arroio, A ^{[1
]}

Honório, KM ^{[1
]}

Weber, KC ^{[1
]}

Homem-De-Mello, P ^{[1
]}

da Silva, ABF ^{[1
]}

机构：

[1] Univ Sao Paulo, Inst Quim Sao Carlos, Dept Quim Fis & Mol, BR-13560970 Sao Carlos, SP, Brazil

来源：

QUIMICA NOVA | 2005年 / 28卷 / 02期

关键词：

computer; projects; quantum chemistry teaching;

D O I：

10.1590/S0100-40422005000200032

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

THE TEACHING OF QUANTUM CHEMISTRY AND THE COMPUTER FROM THE PERSPECTIVE PROJECTS. This paper aims to discuss and reflect about the use of computers in the teaching of Quantum Chemistry. A course on Computational Quantum Chemistry concentrating on Medicinal Chemistry projects was developed for undergraduate and graduate students. The results showed that students got more motivated and involved when there is an articulation between theory and practice. This work presents an alternative way to teach Theoretical Chemistry using projects.

引用

页码：360 / 363

页数：4

共 21 条

[1]

[Anonymous], INTRO QUIMICA QUANTI

[2] 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

[3]

DEWAR MJS, 1994, AMPAC 6 5 PROGRAM SE

[4]

DEWEY J, 1978, VIDA ED

[5]

DIAS JJC, 1982, QUIMICA QUANTIAC FUN

[6]

GANS W, 1996, FUNDAMENTAL PRINCIPL

[7]

Hehre W., 1997, SPARTAN 5 0 PROGRAM

[8]

Hernandez Fernando, 1998, Transgressao e Mudanca Na Educacao: Projetos de Trabalho

[9]

Holtje H.D., 1997, MOL MODELING BASIC P

[10]

Jensen F., 1999, INTRO COMPUTATIONAL

← 1 2 3 →