2011, ISBN: 1156428254

[EAN: 9781156428252], Neubuch, [PU: Jun 2011], SCIENCE / CHEMISTRY GENERAL, This item is printed on demand - Print on Demand Titel. - Source: Wikipedia. Pages: 104. Chapters: Hamiltonian, Molecular orbital, Energy level, Perturbation theory, Molecular dynamics, Spartan, Implicit solvation, Constraint algorithm, List of important publications in chemistry, Chemometrics, Docking, Hartree-Fock method, Møller-Plesset perturbation theory, Quantitative structure-activity relationship, Zanamivir, List of software for molecular mechanics modeling, Chemical database, Ab initio quantum chemistry methods, Basis set, Water model, Koopmans' theorem, Ewald summation, Slater-type orbital, Time-dependent density functional theory, Gillespie algorithm, Molecular modelling, Molecule mining, CASP, Scoring functions for docking, Variational method, Spin contamination, Energy minimization, Lennard-Jones potential, Fragment molecular orbital, Accessible surface area, Cheminformatics, Graphical models for protein structure, Cell lists, Post-Hartree-Fock, Local Elevation, Transition path sampling, Slater-Condon rules, Crystal structure prediction, TeraChem, Docking Server, Self-avoiding walk, Molecular modeling on GPU, Diffusion Monte Carlo, Slater determinant, Protein Data Bank, Distributed multipole analysis, Metadynamics, Partial charge, Bond order potential, Monte Carlo method in statistical physics, Chemical table file, Z-matrix, The Unscrambler, Modern valence bond theory, Umbrella sampling, COSMO Solvation Model, Full configuration interaction, Fermi resonance, CSA Trust, OPLS, Global distance test, Polarizable continuum model, Free energy perturbation, Fractional coordinates, Matthews correlation coefficient, Zero differential overlap, Embedded atom model, Drude particle, Sequential structure alignment program, Template Modeling Score, Voronoi deformation density, ONIOM, AM1\\*, Chelpg, Localized molecular orbitals, Protein-ligand docking, Chemical space, Reaction coordinate, Katchalski-Katzir algorithm, Dynamic Monte Carlo method, Flexible SPC water model, Verlet list, QM/MM, Open shell, Isodesmic reaction, Journal of Chemical Theory and Computation, Buckingham potential, Valence bond codes, Computational chemical methods in solid state physics, COmponent Detection Algorithm, Journal of Chemical Information and Modeling, Help Fight Childhood Cancer, Thermodynamic integration, Computational Chemistry Grid, Chemogenomics, Davidson correction, Centre for Theoretical and Computational Chemistry, MRC, CCP4, Computational Chemistry List, Help Conquer Cancer, Coulomb operator, Center for Computational Chemistry, Intracule, Orbital-free density functional theory, Semiclassical. Excerpt: Molecular dynamics (MD) is computer simulation of physical movements by atoms and molecules. Molecular dynamics simulation is frequently used in the study of proteins and biomolecules, as well as in materials science. It is tempting, though not entirely accurate, to describe the technique as a 'virtual microscope' with high temporal and spatial resolution. Whereas it is possible to take 'still snapshots' of crystal structures and probe features of the motion of molecules through NMR, no current experimental technique allows access to all the time scales of motion with atomic resolution. Richard Feynman once said that 'If we were to name the most powerful assumption of all, which leads one on and on in an attempt to understand life, it is that all things are made of atoms, and that everything that living things do can be understood in terms of the jigglings and wigglings of atoms.' Molecular dynamics lets scien. 104 pp. Englisch

AbeBooks.de AHA-BUCH GmbH, Einbeck, NDS, Germany [51283250] [Rating: 5 (von 5)] NEW BOOK Shipping costs:Versandkostenfrei (EUR 0.00) Details... |

2011, ISBN: 1156428254

[EAN: 9781156428252], Neubuch, [PU: Jun 2011], SCIENCE / CHEMISTRY GENERAL, This item is printed on demand - Print on Demand Titel. - Source: Wikipedia. Pages: 104. Chapters: Hamiltonian, Molecular orbital, Energy level, Perturbation theory, Molecular dynamics, Spartan, Implicit solvation, Constraint algorithm, List of important publications in chemistry, Chemometrics, Docking, Hartree-Fock method, Møller-Plesset perturbation theory, Quantitative structure-activity relationship, Zanamivir, List of software for molecular mechanics modeling, Chemical database, Ab initio quantum chemistry methods, Basis set, Water model, Koopmans' theorem, Ewald summation, Slater-type orbital, Time-dependent density functional theory, Gillespie algorithm, Molecular modelling, Molecule mining, CASP, Scoring functions for docking, Variational method, Spin contamination, Energy minimization, Lennard-Jones potential, Fragment molecular orbital, Accessible surface area, Cheminformatics, Graphical models for protein structure, Cell lists, Post-Hartree-Fock, Local Elevation, Transition path sampling, Slater-Condon rules, Crystal structure prediction, TeraChem, Docking Server, Self-avoiding walk, Molecular modeling on GPU, Diffusion Monte Carlo, Slater determinant, Protein Data Bank, Distributed multipole analysis, Metadynamics, Partial charge, Bond order potential, Monte Carlo method in statistical physics, Chemical table file, Z-matrix, The Unscrambler, Modern valence bond theory, Umbrella sampling, COSMO Solvation Model, Full configuration interaction, Fermi resonance, CSA Trust, OPLS, Global distance test, Polarizable continuum model, Free energy perturbation, Fractional coordinates, Matthews correlation coefficient, Zero differential overlap, Embedded atom model, Drude particle, Sequential structure alignment program, Template Modeling Score, Voronoi deformation density, ONIOM, AM1\\*, Chelpg, Localized molecular orbitals, Protein-ligand docking, Chemical space, Reaction coordinate, Katchalski-Katzir algorithm, Dynamic Monte Carlo method, Flexible SPC water model, Verlet list, QM/MM, Open shell, Isodesmic reaction, Journal of Chemical Theory and Computation, Buckingham potential, Valence bond codes, Computational chemical methods in solid state physics, COmponent Detection Algorithm, Journal of Chemical Information and Modeling, Help Fight Childhood Cancer, Thermodynamic integration, Computational Chemistry Grid, Chemogenomics, Davidson correction, Centre for Theoretical and Computational Chemistry, MRC, CCP4, Computational Chemistry List, Help Conquer Cancer, Coulomb operator, Center for Computational Chemistry, Intracule, Orbital-free density functional theory, Semiclassical. Excerpt: Molecular dynamics (MD) is computer simulation of physical movements by atoms and molecules. Molecular dynamics simulation is frequently used in the study of proteins and biomolecules, as well as in materials science. It is tempting, though not entirely accurate, to describe the technique as a 'virtual microscope' with high temporal and spatial resolution. Whereas it is possible to take 'still snapshots' of crystal structures and probe features of the motion of molecules through NMR, no current experimental technique allows access to all the time scales of motion with atomic resolution. Richard Feynman once said that 'If we were to name the most powerful assumption of all, which leads one on and on in an attempt to understand life, it is that all things are made of atoms, and that everything that living things do can be understood in terms of the jigglings and wigglings of atoms.' Molecular dynamics lets scien. 104 pp. Englisch

AbeBooks.de AHA-BUCH GmbH, Kreiensen, NDS, Germany [51283250] [Rating: 5 (von 5)] NEW BOOK Shipping costs:Versandkostenfrei (EUR 0.00) Details... |

ISBN: 9781156428252

Purchase includes free access to book updates online and a free trial membership in the publisher's book club where you can select from more than a million books without charge. Chapters: Computational Chemistry, Perturbation Theory, Molecular Dynamics, Implicit Solvation, Density Functional Theory, Constraint Algorithm, List of Important Publications in Chemistry, Chemometrics, Hartree-fock Method, Chemical Database, Docking, Zanamivir, Molecular Mechanics, Ab Initio Quantum Chemistry Purchase includes free access to book updates online and a free trial membership in the publisher's book club where you can select from more than a million books without charge. Chapters: Computational Chemistry, Perturbation Theory, Molecular Dynamics, Implicit Solvation, Density Functional Theory, Constraint Algorithm, List of Important Publications in Chemistry, Chemometrics, Hartree-fock Method, Chemical Database, Docking, Zanamivir, Molecular Mechanics, Ab Initio Quantum Chemistry Methods, Basis Set, List of Software for Molecular Mechanics Modeling, Water Model, Ewald Summation, Time-Dependent Density Functional Theory, Molecule Mining, Moller-plesset Perturbation Theory, Molecular Modelling, Casp, Scoring Functions for Docking, Energy Minimization, Koopmans' Theorem, Cheminformatics, Lennard-Jones Potential, Cell Lists, Spin Contamination, Multi-Configurational Self-Consistent Field, Transition Path Sampling, Gillespie Algorithm, Qm/mm, Fragment Molecular Orbital, Slater-condon Rules, the Unscrambler, Quantum Chemistry Composite Methods, Crystal Structure Prediction, Protein Data Bank, Docking Server, Distributed Multipole Analysis, Muffin-Tin Approximation, Bond Order Potential, Molecular Modeling on Gpu, Accessible Surface Area, Partial Charge, Monte Carlo Method in Statistical Physics, Chemical Table File, Modern Valence Bond Theory, Cosmo Solvation Model, Fermi Resonance, Csa Trust, Opls, Polarizable Continuum Model, Free Energy Perturbation, Umbrella Sampling, Zero-Differential Overlap, Global Distance Test, Post-Hartree-fock, Drude Particle, Self-Avoiding Walk, Sequential Structure Alignment Program, Z-Matrix, Matthews Correlation Coefficient, Voronoi Deformation Density, Fractional Coordinates, Am1, Embedded Atom Model, Chemical Space, Template Modeling Score, Katchalski-Katzir Algorithm, Dynamic Monte Carlo Method, Verlet List, Chelpg, Flexible Spc Water Model, Isodesmic Reaction, Valence Bond Codes, Computational Chemical Methods in Books, , Computational-Chemistry~~Books-Llc, 999999999, Computational Chemistry, Books Llc, 1156428254, General Books LLC, , , , , General Books LLC

BarnesandNoble.com MPN: , SKU 9781156428252 Shipping costs:plus verzendkosten, plus shipping costs Details... |

ISBN: 9781156428252

Computational chemistry ab 24.49 EURO Hamiltonian, Molecular orbital, Energy level, Perturbation theory, Molecular dynamics, Spartan, Implicit solvation, Constraint algorithm, List of important publications in chemistry, Chemometrics, Docking, Hartree-Fock method Computational chemistry ab 24.49 EURO Hamiltonian, Molecular orbital, Energy level, Perturbation theory, Molecular dynamics, Spartan, Implicit solvation, Constraint algorithm, List of important publications in chemistry, Chemometrics, Docking, Hartree-Fock method Bücher > Taschenbücher > Naturwissenschaft

eBook.de No. 12059092. Shipping costs:Mais custos de envio., plus shipping costs Details... |

Computational chemistry Hamiltonian, Molecular orbital, Energy level, Perturbation theory, Molecular dynamics, Spartan, Implicit solvation, Constraint algorithm, List of important publications in chemistry, Chemometrics, Docking, Hartree-Fock method

*- new book*

2011, ISBN: 1156428254

Kartoniert / Broschiert SCIENCE / Chemistry / General, mit Schutzumschlag neu, [PU:Books LLC, Reference Series]

Achtung-Buecher.de MARZIES.de Buch- und Medienhandel, 14621 Schönwalde-Glien Shipping costs:Versandkostenfrei innerhalb der BRD. (EUR 0.00) Details... |

2011, ISBN: 1156428254

[EAN: 9781156428252], Neubuch, [PU: Jun 2011], SCIENCE / CHEMISTRY GENERAL, This item is printed on demand - Print on Demand Titel. - Source: Wikipedia. Pages: 104. Chapters: Hamiltonian,… More...

NEW BOOK Shipping costs:Versandkostenfrei (EUR 0.00)

2011, ISBN: 1156428254

[EAN: 9781156428252], Neubuch, [PU: Jun 2011], SCIENCE / CHEMISTRY GENERAL, This item is printed on demand - Print on Demand Titel. - Source: Wikipedia. Pages: 104. Chapters: Hamiltonian,… More...

NEW BOOK Shipping costs:Versandkostenfrei (EUR 0.00)

## ISBN: 9781156428252

Purchase includes free access to book updates online and a free trial membership in the publisher's book club where you can select from more than a million books without charge. Chapters:… More...

MPN: , SKU 9781156428252 Shipping costs:plus verzendkosten, plus shipping costs

ISBN: 9781156428252

Computational chemistry ab 24.49 EURO Hamiltonian, Molecular orbital, Energy level, Perturbation theory, Molecular dynamics, Spartan, Implicit solvation, Constraint algorithm, List of imp… More...

No. 12059092. Shipping costs:Mais custos de envio., plus shipping costs

Computational chemistry Hamiltonian, Molecular orbital, Energy level, Perturbation theory, Molecular dynamics, Spartan, Implicit solvation, Constraint algorithm, List of important publications in chemistry, Chemometrics, Docking, Hartree-Fock method

*- new book*

2011, ISBN: 1156428254

Kartoniert / Broschiert SCIENCE / Chemistry / General, mit Schutzumschlag neu, [PU:Books LLC, Reference Series]

Shipping costs:Versandkostenfrei innerhalb der BRD. (EUR 0.00)

Author: | |

Title: | |

ISBN: |

** Details of the book - Computational Chemistry: Perturbation Theory, Molecular Dynamics, Spartan, Implicit Solvation, Density Functional Theory, Constraint Algorithm**

EAN (ISBN-13): 9781156428252

ISBN (ISBN-10): 1156428254

Paperback

Publishing year: 2010

Publisher: LIFE JOURNEY

418 Pages

Weight: 0,608 kg

Language: eng/Englisch

Book in our database since 2010-07-22T05:17:34-04:00 (New York)

Detail page last modified on 2018-02-19T16:18:59-05:00 (New York)

ISBN/EAN: 9781156428252

ISBN - alternate spelling:

1-156-42825-4, 978-1-156-42825-2

< to archive...