Les Houches Workshop, May 2-7, 1995 Bicout, Dominique. Field, Martin. text bibliography conference publication gw Berlin New York Les Ulis Cambridge, MA Springer-Verlag Les Editions de Physique PCG Inc. c1996 1996 monographic eng

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xiv, 311 p. : ill. ; 24 cm. Lecture 1. Density functional theory / N. C. Handy -- Lecture 2. Practical density functional approaches in chemistry and biochemistry / A. St-Amant -- Lecture 3. A quantum chemical view of the initial photochemical event in photosynthesis / M. C. Zerner -- Lecture 4. Curve crossing in a protein: coupling of the elementary quantum process to motions of the protein / K. Schulten -- Lecture 5. Quantum-classical molecular dynamics. Models and applications / P. Bala, P. Grochowski, B. Lesyng and J. A. McCammon -- Lecture 6. Quantum dynamics simulation of a small quantum system embedded in a classical environment / H. J. C. Berendsen and J. Mavri -- Lecture 7. A tubular view of electron transfer in azurin / J. J. Regan and J. N. Onuchic -- Lecture 8. Biological electron transfer: measurement, mechanism, engineering requirements / C. C. Moser and P. L. Dutton -- Lecture 9. The photodetachment of an electron from a chloride ion in water studied by quantum molecular dynamics simulation / A. Staib and D. Borgis -- Lecture 10. Quantum chemistry of in situ retinal: study of the spectral properties and dark adaptation of Bacteriorhodopsin / I. Logunov and K. Schulten -- Lecture 11. Towards an understanding of quantum factors in small ligand geminate recombination to heme proteins / W. Nowak and J.-L. Martin -- Lecture 12. A parallel direct SCF method for large molecular systems / T. R. Furlani and H. F. King -- Lecture 13. Multigrid electrostatic computations in density functional theory / M. P. Merrick, K. A. Iyer and T. L. Beck -- Lecture 14. Symmetry-oriented research of polymers PC program POLSym and DNA / I. Milosevic, A. Damjanovic and M. Damnjanovic. editors, Dominique Bicout, Martin Field. Includes bibliographical references. Biomolecules Structure Computer simulation Congresses Biomolecules Structure Mathematical models Congresses Proteins Structure Computer simulation Congresses Proteins Structure Mathematical models Congresses Structure-activity relationships (Biochemistry) Congresses 530.12 QUA 3540608699 (SpringerVerlag) 2868832636 (Les Editions de Physique) CIN 960502 20140915170026.0 1896970