Computational chemistry

Results: 1931



#Item
901Quantum mechanics / Operator theory / Computational chemistry / Hamiltonian mechanics / Mathematical physics / Symbol / Perturbation theory / Operator / Hamiltonian / Physics / Mathematical analysis / Theoretical physics

Problems Chapter 9 Quantum Mechanics K. Konishi, G. Paffuti Problem 1 Consider the Hamiltonian H = H0 + H1 , where

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Source URL: www.df.unipi.it

Language: English - Date: 2009-10-12 07:15:15
902Chemical bonding / Density functional theory / Ab initio quantum chemistry methods / Hydrogen storage / Hydrogen / Superatom / Molecular dynamics / Chemical bond / Diatomic molecule / Chemistry / Cluster chemistry / Computational chemistry

Microsoft Word - word_zAyHHKTMtPFXPJ5C_Fz1.docx

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Source URL: physics.bk.psu.edu

Language: English - Date: 2014-06-20 11:20:45
903Computational chemistry / Chemistry / Science / Spartan / Chattanooga /  Tennessee / Sparta

Spartan Systems Hires Interactive Design Veteran Aaron Hoffman Spartan Systems, a Chattanooga-based software and application development company, announced the hiring of another leader from Chattanooga’s technology com

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Source URL: www.prweb.com

Language: English - Date: 2014-08-11 03:00:11
904Theoretical chemistry / Metadynamics / Chemistry / Molecular dynamics / Computational chemistry

DOC Document

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Source URL: www.qro.cinvestav.mx

Language: English - Date: 2012-06-16 01:00:46
905Molecular modelling / Computational chemistry / Theoretical chemistry / CP2K / Molecular dynamics / Car–Parrinello method / Force field / Michele Parrinello / Ab initio quantum chemistry methods / Chemistry / Science / Density functional theory

University of Zurich Zurich Open Repository and Archive Winterthurerstr. 190 CH-8057 Zurich http://www.zora.uzh.ch

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Source URL: www.zora.uzh.ch

Language: English - Date: 2010-11-29 09:01:51
906Quantum chemistry / Molecular physics / Molecular modelling / Molecular orbital / Linear combination of atomic orbitals / Gaussian orbital / Force field / Quantitative structure–activity relationship / Drug design / Chemistry / Theoretical chemistry / Computational chemistry

Pure&Appl. Chem.,Vol. 69, No. 5, pp[removed], 1997. Printed in Great Britain[removed]IUPAC INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY

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Source URL: pac.iupac.org

Language: English - Date: 2004-06-03 16:45:17
907Computational chemistry / Observational astronomy / Scattering / Spectroscopy / Photoemission spectroscopy / Molecular dynamics / Molecular physics / Laser / Photofragment-ion imaging / Physics / Chemistry / Science

Microsoft Word[removed]Albert Stolow CFEL Colloquium.doc

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Source URL: www.cfel.de

Language: English - Date: 2013-05-15 18:52:00
908Density functional theory / Computational physics / Computational chemistry / Quantum chemistry / Theoretical chemistry / Time-dependent density functional theory / SIESTA / Optics / FEFF8 / Physics / Chemistry / Science

Microsoft Word - Flyer IV Colloquium John J. Rehr[removed]doc

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Source URL: www.cfel.de

Language: English - Date: 2013-05-15 18:52:00
909Construction / Architecture / Computational chemistry / Composite materials / Cement / Near-infrared spectroscopy / Concrete / Infrared / Portland cement / Electromagnetic radiation / Spectroscopy / Building materials

PEER-REVIEWED ARTICLE bioresources.com CALIBRATIONS BASED ON NEAR INFRARED SPECTROSCOPIC DATA TO ESTIMATE WOOD-CEMENT PANEL PROPERTIES

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Source URL: www.ncsu.edu

Language: English - Date: 2009-10-26 10:10:17
910Computational chemistry / Perturbation theory / RF MEMS / Microelectromechanical systems / Computational electromagnetics / Electromagnetism / Mathematical analysis / Physics / Science

A Perturbation Method for the 3D Finite Element Modeling of Electrostatically Driven MEMS

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Source URL: orbi.ulg.ac.be

Language: English - Date: 2014-06-13 01:50:53
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