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Head-Gordon

Head-Gordon M, Tuiiy J C, Rettner C T, Muiiins C B and Auerbach D J 1991 On the nature of trapping and desorption at high surface temperatures theory and experiments for the Ar-Pt(lll) system J. Chem. Phys. 94 1516... [Pg.916]

White C A, Johnson B G, Gill P M W and Head-Gordon M 1994 The fast multipole method Chem. Phys. Lett. 230 8-16 White C A, Johnson B G, Gill P M W and Head-Gordon M 1996 Linear sealing density funetional ealeulations via the eontinuous fast multipole method Chem. Phys. Lett. 253 268-78... [Pg.2196]

Head-Gordon M and Pople J A 1988 Optimization of wavefunotion and geometry in the finite basis Hartree-Fock method J. Phys. Chem. 92 3063... [Pg.2358]

Hayward et al. 1994] Hayward, S., Kitao, A., Go, N. Harmonic and anharmonic aspects in the dynamics of BPTI A normal mode analysis and principal component analysis. Prot. Sci. 3 (1994) 936-943 [Head-Gordon and Brooks 1991] Head-Gordon, T., Brooks, C.L. Virtual rigid body dynamics. Biopol. 31 (1991) 77-100... [Pg.76]

Towards a Systematic Molecular Orbital Theory for Excited States James B. Foresman, Martin Head-Gordon, John A. Pople and Michael J. Frisch... [Pg.190]

John A. Pople, Martin Head-Gordon and Krishnan Raghavachari Journal of Chemical Physics 87 (1987) 5968-5975... [Pg.206]

Gaussian-1 theory A general procedure for prediction of molecular energies John A. Pople, Martin Head-Gordon, Douglas J. Fox, Krishnan Raghavachari and Larry A. Curtiss Journal of Chemical Physics 90 (1989) 5622-5629... [Pg.322]

P. E. Maslen arrd M. Head-Gordon, Chem. Phys. Lett. 283,102 (1998). V. Pitchko arrd J. D. Goddard, Chem. Phys. Lett. 289,391 (1998). [Pg.90]

R. J. Rico and M. Head-Gordon, Chem. Phys. Lett. 213, (1993). [Pg.172]

Jung Y, Head-Gordon M (2003) Chem Phys Chem 4 522... [Pg.262]

Brown S, Fawzi NJ, Head-Gordon T. Coarse-grained sequences for protein folding and design. Proc Natl Acad Sci USA 2003 100 10712-7. [Pg.350]

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See also in sourсe #XX -- [ Pg.75 , Pg.98 , Pg.99 ]

See also in sourсe #XX -- [ Pg.494 , Pg.533 ]

See also in sourсe #XX -- [ Pg.75 , Pg.98 , Pg.99 ]

See also in sourсe #XX -- [ Pg.226 ]



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