Recent Progress in Computational Sciences and Engineering (2 vols)

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IEEE J. Solid St Circ. Cook, D. Handbook of Computational Chemistry. Cui, Q. Perspective: Quantum mechanical methods in biochemistry and biophysics. Computational modelling of oxygenation processes in enzymes and biomimetic model complexes. Faponle, A. Origin of the regioselective fatty acid hydroxylation versus decarboxylation by a cytochrome P peroxygenase: what drives the reaction to biofuel production?

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Field, M. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations. Friesner, R. Gao, J. Hybrid quantum and molecular mechanical simulations An alternative avenue to solvent effects in organic chemistry. Golze, D. Gonis, A. Multishell method: exact treatment of a cluster in an effective medium. B Hartke, B. Reactive force fields made simple. Helgaker, T. Molecular Electronic Structure Theory. Chichester: Wiley. PubMed Abstract. Herschend, B. Hofer, T. Pure Appl. Theory 11, — Hydration of highly charged ions. Hu, H. Theochem , 17— Jacob, T.

Cluster-embedding method to simulate large cluster and surface problems. D 16, — Jensen, F. Introduction to Computational Chemistry, 2nd Edition. Keal, T. A Koch, W. Weinheim: Wiley—VCH. The moderately-large-embedded-cluster method for metal surfaces; a density-functional study of atomic adsorption. Matter Leach, A. Molecular Modelling, 2nd Edn. Harlow: Prentice-Hall.

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Lemkul, J. An empirical polarizable force field based on the classical drude oscillator model: development history and recent applications. Liang, T. Reactive potentials for advanced atomistic simulations. Lin, H. Acta Lu, X. Lyne, P. Mahadevan, T. McDonagh, J. Abadal Berini Ed. Cuniberti, G. Fagas, and K. Richter Ed. In: Vol. SPIE Proceedings , pp. Search profiles by name Search by name Search.

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Recent Progress in Computational Sciences and Engineering (2 vols)

Abstract Submissions Due: September 17, Key Dates: Deadline for paper abstracts: 1 March March The deadline for this special issue will. How is it calculated? We strive to protect the interests of our customers. Since the issues are of interdisciplinary nature, we invite papers from all relevant disciplines of liberal studies and the progressive human sciences.