Prof.dr.
Vasile CHIS
Suport
pentru cursuri
Curs 1 Curs 8 Curs 2 Curs 9 Curs 3 Curs 10 Curs 4 Curs 11 Curs 5 Curs 12 Curs 6 Curs 13 Curs 7 Curs 14 |
3. Molecular structure and properties calculations (Master) | |
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Bibliography
Books 22 3. W.J. Hehre, L.Radom, P.v.R.Schleyer, J.A.Pople, Ab Initio Molecular Orbital Theory, John Willey & Sons, New York, 1986
4. 3. F. Jensen,
Introduction to Computational Chemistry, John Wiley and Sons, New
York, 2001. 5. 5. A. Szabo, N.S. Ostlund, Modern Quantum Chemistry; Introduction to Advanced Electronic Structure Theory, McGraw-Hill Publishing Company, New York, 1989 7. 6. R.G. Parr, W.Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989 8. 7. C. J. Cramer, Essentials of Computational Chemistry, John Wiley & Sons (2002) 9. 8. J.B. Foresman, A. Frisch, Exploring Chemistry With Electronic Structure Methods, 3rd edition, Gaussian Inc, Wallingford, CT USA, 2015 |
Gaussian and
GaussView References
Web resources:
Papers |
4. Simetrie moleculara si aplicatii (curs optional, an III F, FT, FM, CF) | |
Orbitali (atomici, moleculari, hibrizi)The Orbitron is ©2002 Mark Winter (University of Sheffield)
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