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· 제목 : Computational Chemistry and Molecular Modeling: Principles and Applications (Hardcover) 
· 분류 : 외국도서 > 과학/수학/생태 > 과학 > 화학 > 물리화학
· ISBN : 9783540773023
· 쪽수 : 398쪽
· 분류 : 외국도서 > 과학/수학/생태 > 과학 > 화학 > 물리화학
· ISBN : 9783540773023
· 쪽수 : 398쪽
목차
Symmetry and Point Groups.- Quantum Mechanics: A Brief Introduction.- Huckel Molecular Orbital Theory.- Hartree-Fock Theory.- Basis Sets.- Semiempirical Methods.- The Ab Initio Method.- Density Functional Theory.- Reduced Density Matrix.- Molecular Mechanics.- The Modeling of Molecules Through Computational Methods.- High Performance Computing.- Research in Computational Chemistry and Molecular Modeling.- Basic Mathematics for Computational Chemistry.
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