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Singh

Singh U C and Kollman P A 1984 An approach to computing electrostatic charges for molecules J. Comput. Chem. 5 129... [Pg.216]

Wilde R E and Singh S 1998 Statistical Mechanics (New York Wiley)... [Pg.557]

Singh S, Krishnan R and Robinson G W 1990 Theory of activated rate processes with space-dependent friction Chem. [Pg.896]

Mazin I I, Papaconstantopoulos D A and Singh D J 2000 Tight-binding Flamiltonians for Sr-filled ruthenates Application to the gap anisotropy and Flail coefficient in Sr2RuO Phys. Rev. B 61 5223... [Pg.2229]

Singh D J 1994 Planewaves, Pseudopotentials and the LAPW Method (Norweii, MA Kiuwer)... [Pg.2231]

Singh D and Krakauer H 1991 H-point phonon in moiybdenum Superiinearized augmented-piane-wave oaiouiations Phys. Rev. B 43 1441 -5... [Pg.2231]

S]dstedt E, Nordstrom L and Singh D J 2000 An aiternative way of iinearizing the augmented piane-wave method Solid State Commun. 114 15... [Pg.2231]

Singh D 1991 Ground-state properties of ianthanum treatment of extended-oore states Phys. Rev. B 43 6388... [Pg.2231]

Dhesi S S, Stagarescu C B, Smith K E, Doppaiapudi D, Singh R and Moustakas T D 1997 Surface and buik eiectronic structure of thin-fiim wurtzite GaN Phys. Rev. B 56 10 271-5... [Pg.2238]

Singh, U.C., Kollman, P.A. A combined ab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems Applications to the CH3CI 4- Cl exchange reaction and gas phase protonation of polyethers. J. Comput. Chem. 7 (1986) 718-730. [Pg.29]

Jedrzejas, M. J., Singh, S. Brouillette, W. J. Air, G. M. Luo, M. A. 1995. Strategy for theoretical binding constant, Ki calculation for neuraminidase aromatic inhibitors, designed on the basis of the active site structure of influenza virus neuraminidase. Proteins Struct. Funct. Genet. 23 (1995) 264-277... [Pg.147]

J. D. Turner, P. K. Weiner, H. M. Chun, V. Lupi, S. Gallion, and U. C. Singh. Variable reduction techniques applied to molecular dynamics simulations. In W. F. van Gunsteren, P. K. Weiner, and A. J. Wilkinson, editors. Computer Simulation of Biomolecular Systems Theoretical and Experimental Applications, volume 2, chapter 24. ESCOM, Leiden, The Netherlands, 1993. [Pg.262]

Singh U C and P A Kollman 1984. An Approach to Computing Electrostatic Charges for Molecules, Journal of Computational Chemistry 5 129-145. [Pg.269]

Bash P A, U C Singh, F K Brown, R Langridge and P A Kollman 1987. Calculation of the Relat Change in Binding Free-Energy of a Protein-Inhibitor Complex. Science 235 574-576. [Pg.649]

Singh U C and P A Kollman 1986. A Combined Ab Initio Quantum Mechanical and Molecule Mechanical Method for Carrying out Simulations on Complex Molecular Systems Applicatior to the CHsQ + Cr Exchange Reaction and Gas Phase Protonation of Polyethers. Journal Computational Chemistry 7 718-730. [Pg.653]

J. Goodisman, Statistical Mechanics for Chemists John Wiley Sons, New York (1997). R. E. Wilde, S. Singh, Statistical Mechanics Fundamentals and Modern Applications John Wiley Sons, New York (1997). [Pg.17]

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And Amar Singh Singha

Gelatin-Containing Formulations Changes in Dissolution Characteristics Saranjit Singh and Sariputta P. Pakhale

Maya Shankar Singh

Process Chemistry in the Pharmaceutical Industry Kumar G. Gadamasetti and Ambarish K. Singh

Singh studies

Singh, Simon

Singh, corrosion

The Singh and Dutt approximation

Y. Singh

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