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Clementi

Clementi E and Davis D R 1967 Electronic structure of large molecular systems J. Comp. Phys. 1 223-44... [Pg.2195]

Volkov, S.N. Conformational transitions and the mechanism of transmission of long-range effects in DNA. Preprint ITP-88-12E, Kiev (1988) 22 Krumhansl, J.A., Alexander, D.M. Nonlinear dynamics and conformational exitations in biomolecular materials. In Structure and dynamics nucleic acids and proteins. (Clementi, E., Sarma, R.H., eds) Adenine Press, New York (1983) 61-80... [Pg.125]

Clementi and Raimondi refined these results by performing atomic HF-LCAO calculations, treating the orbital exponents as variational parameters. A selection of their results for H through Ne is given in Table 9.3. [Pg.158]

Atomic Screening Constants from SCF Functions E. Clementi and D. L. Raimondi The Journal of Chemical Physics 38 (1963) 2686-2689... [Pg.159]

The next step on the road to quality is to expand the size of the atomic orbital basis set, and I hinted in Chapters 3 and 4 how we might go about this. To start with, we double the number of basis functions and then optimize their exponents by systematically repeating atomic HF-LCAO calculation. This takes account of the so-called inner and outer regions of the wavefunction, and Clementi puts it nicely. [Pg.159]

Simple Basis Set for Molecular Wavefunctions Containing First- and Second-Row Atoms E. Clementi... [Pg.159]

Like Daw and Baskes, we use the double-zeta wave functions of Clementi and Roetti for the calculation of the effective electronic densities... [Pg.96]

Clementi, Enrico, Computational Aspects for Large Chemical Systems. Berlin Springer-Verlag, 1980. [Pg.108]

Gotti C, Zoli M, Clementi F (2006) Brain nicotinic acetylcholine receptors native subtypes and their relevance. Trends Pharmacol Sci 27 482-491... [Pg.854]

Lampertico P, Del Ninno E, Manzin A, Donato MF, Rumi MG, Lunghi G, Morabito A, Clementi M, Colombo M (1997) A randomized, controlled trial of a 24-month course of interferon alfa 2b in patients with chronic hepatitis B who had hepatitis B virus DNA without hepatitis B e antigen in serum. Hepatology 26 1621-1625... [Pg.236]

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See also in sourсe #XX -- [ Pg.31 , Pg.32 ]

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Clementi double-zeta basis

Clementi: Enrico

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Niesar-Corongiu-Clementi potentials

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