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Computational chemistry
Results: 1931

#	Item
871	A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods Miquel Sola`, Jordi Mestres, Ramon Carbo´, and Miquel Add to Reading List Source URL: dugi-doc.udg.edu Language: English - Date: 2013-05-13 07:54:16 Quantum chemistry Atomic physics Quadratic configuration interaction Ab initio quantum chemistry methods Hartree–Fock method Post-Hartree–Fock Gaussian Density functional theory Dirac Chemistry Computational chemistry Theoretical chemistry
872	A Hamiltonian model of dissipative wave–particle interactions and the negative-mass effect Add to Reading List Source URL: w3.pppl.gov Language: English - Date: 2011-05-04 14:06:05 Thermodynamics Dynamical systems Computational chemistry Electron Energy Hamiltonian Dissipation Physics Quantum mechanics Quantum chemistry
873	BioSolveIT_FlexX_2007_RZ.qxd[removed]:22 Uhr Add to Reading List Source URL: www.biosolveit.de Language: English - Date: 2007-06-12 05:27:26 Drug discovery Medicinal chemistry Computational chemistry Bioinformatics Docking DOCK Drug design Protein–ligand docking Chemistry Molecular modelling Science
874	doi:[removed]j.physleta[removed] Add to Reading List Source URL: w3.pppl.gov Language: English - Date: 2005-12-15 11:14:40 Computational chemistry Quantum chemistry Theoretical chemistry Calculus of variations Hamiltonian Physics Quantum mechanics Operator theory
875	COURSE OUTLINE Last Revised and Approved: [removed]CHEM[removed]GENERAL CHEMISTRY Units Lecture Total Hrs Lecture Add to Reading List Source URL: miracosta.edu Language: English - Date: 2011-02-16 17:30:25 Quantum chemistry Chemical education Computational chemistry Molecular physics Chemical bond Mole Chemist General chemistry Chemical reaction Chemistry Science Physics
876	International Scholarly Research Network ISRN Mechanical Engineering Volume 2012, Article ID[removed], 11 pages doi:[removed][removed]Research Article Add to Reading List Source URL: downloads.hindawi.com Language: English - Date: 2014-08-14 16:52:04 Combustion Chemical bonding Emerging technologies Computational science CFX Enzyme kinetics Hydrogen Adiabatic flame temperature Chemical reaction Chemistry Science Fluid dynamics
877	Hindawi Publishing Corporation The Scientific World Journal Volume 2013, Article ID[removed], 10 pages http://dx.doi.org[removed][removed]Research Article Add to Reading List Source URL: downloads.hindawi.com Language: English - Date: 2014-05-08 07:41:21 Chemical bonding Molecular modelling Protein structure Computational chemistry Ligand Docking Signal transduction Force field Chemistry Biology Cell signaling
878	PHYSICAL REVIEW A, VOLUME 65, [removed]Cold collisions between argon atoms and hydrogen molecules J. C. Flasher and R. C. Forrey Pennsylvania State University, Berks-Lehigh Valley College, Reading, Pennsylvania[removed] Add to Reading List Source URL: physics.bk.psu.edu Language: English - Date: 2002-02-14 18:23:47 Quantum mechanics Science Computational chemistry Hamiltonian Operator theory Theoretical chemistry Giacinto Scoles Anthony E. Siegman Physics Chemistry Quantum chemistry
879	AIAA[removed]20th AIAA Computational Fluid Dynamics Conference[removed]June 2011, Honolulu, Hawaii Drag Output Error Estimation Using the Entropy Add to Reading List Source URL: www-personal.umich.edu Language: English - Date: 2011-07-18 23:05:57 Chemistry Operator theory Fluid dynamics Philosophy of thermal and statistical physics Information theory Drag Entropy Hermitian adjoint Aerodynamics Physics Thermodynamics
880	Fall[removed]CHEMISTRY 475 Physical Chemistry of Macromolecules Lectures: Mon & Wed 6:00 PM-7:15PM FW 201FW300 Instructor – James R. Horn, FW 432, [removed], [removed] (note: j r horn) Office Hours – By appoint Add to Reading List Source URL: www.niu.edu Language: English - Date: 2015-02-09 12:31:35 Molecular modelling Computational chemistry Protein structure Medicinal chemistry Bioinformatics Molecular dynamics Nuclear magnetic resonance spectroscopy Docking Structural genomics Chemistry Biology Science

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