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Theoretical chemistry, iii

Drowicz F W and W A Goddard IB 1977. The Self-Consistent Field Equations for Generalized Valence Bond and Open-Shell Hartree-Fock Wave Functions. In Schaeffer H F III (Editor). Modem Theoretical Chemistry III, New York, Plenum, pp. 79-127. [Pg.180]

I. Shavitt, Modem Theoretical Chemistry III (H. F. Schaefer ed.) Plenum Press, New York, 1977, 189. [Pg.281]

Shavitt I. The method of configuration interaction. In Schaefer HF III, ed. Methods in Electronic Structure Theory, Modem Theoretical Chemistry III. New York Plenum, 1977 189-275. [Pg.85]

Sohaefer H F III (ed) 1977 Modern Theoretical Chemistry vo 3 (New York Plenum)... [Pg.2194]

Wahl A C and Das G 1977 The multieonfiguration self-eonsistent field method Modem Theoretical Chemistry vo 3, ed H F III Sehaefer (New York Plenum) pp 51-78 eovers the earlier history on this topie... [Pg.2196]

Pyykkd, P. (2008) Theoretical Chemistry of Gold. III. Chemical Society Reviews, 37, 1967-1997. [Pg.223]

I. Shavitt, The Method of Configuration Interaction. In H. F. Schaefer III (Ed.) Methods of Electronic Structure Theory Modem Theoretical Chemistry, Vol. 3. (Plenum, New York, 1977), pp. 189-275 The Treatment of Electron Correlation Where Do We Go from Here In C. E. Dykstra (Ed.) Advanced Theories and Computational Approaches to the Electronic Structure of Molecules (Reidel, Dordrecht, 1984), pp. 185-196. [Pg.40]

J. W. Mellor, Supplement III to Mellor s Comprehensive Treatise on Inorganic and Theoretical Chemistry, Vol. II, John Wiley Sons, Inc., New York, 1963. [Pg.520]

The book is aimed at students and scientists who have a basic understanding of inorganic chemistry. No prior knowledge of theoretical chemistry, sophisticated mathematics, or computing is assumed. The basic concepts of molecular mechanics are developed and discussed in Part I. Examples of applications and the difficulties encountered are reviewed in Part II. In Part III a practical guide to undertaking a molecular modeling study of a new system is presented and the problems and pitfalls likely to be encountered are outlined. The three parts of the book can be read and used separately. [Pg.210]

W. Meyer, in Modem Theoretical Chemistry, H. F. Schaefer III, Ed., Plenum, New York,... [Pg.200]

F. W. Bobrowicz and W. A. Goddard III, Self-Consistent Field Equations for Open-Shell Hartree-Fock and Generalized Valence Bond Wave Functions, in Modem Theoretical Chemistry, vol. 3, H. F. Schaeffer III Ed., Plenum, New York, 1977... [Pg.141]

Dunning TH Jr, Hay PJ (1976), Gaussian Basis Sets for Molecular Calculations. In Schaefer HF III, (ed) Modem Theoretical Chemistry, vol. 3, Plenum, New York, pp 1-27... [Pg.429]

Kollman, P. Applications of electronic structure theory, in Modern Theoretical Chemistry (ed.) Schaefer III, H. F., Vol. 4, p. 109, New York, Plenum Press 1977... [Pg.38]


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