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Computational and Theoretical Chemistry
Results: 190

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171	Quantum Theory Project Dept. of Physics, Dept. of Chemistry, Dept. of Materials Science and Engineering PO Box[removed]Gainesville, FL[removed] Add to Reading List Source URL: reg.conferences.dce.ufl.edu Language: English - Date: 2013-10-21 13:59:55 Theoretical chemistry Guggenheim Fellows Sanibel Symposium Quantum chemistry Roberto Car Molecular dynamics Robert S. Mulliken Computational chemistry John C. Slater Chemistry Physical chemists Science
172	METHODS iSpartan uses molecular mechanics based on the Merck Molecular Force Field (MMFF) for 2D→3D conversion and for conformational searching.1 Except for the heat of formation, quantum chemical results obtained eith Add to Reading List Source URL: www.wavefun.com Language: English - Date: 2014-03-28 15:00:57 Molecular physics Nuclear magnetic resonance Spectroscopy Theoretical chemistry Computational chemistry Spartan Nuclear magnetic resonance spectroscopy Molecular orbital Force field Chemistry Science Physics
173	Exam I Physics 607 (due Oct. 3, 2001) Add to Reading List Source URL: www3.nd.edu Language: English - Date: 2001-10-01 09:59:52 Quantum chemistry Atomic physics Computational chemistry Theoretical chemistry Hartree–Fock method Eigenvalues and eigenvectors Electron configuration Chemistry Physics Algebra
174	Lecture notes on Tight-Binding Molecular Dynamics, and Tight-Binding justification of classical potentials Furio Ercolessi Add to Reading List Source URL: www.fisica.uniud.it Language: English - Date: 2010-11-03 19:11:39 Computational chemistry Theoretical chemistry Atomic physics Antibonding Tight binding Chemical bond Atomic orbital Basis set Molecular dynamics Chemistry Quantum chemistry Chemical bonding
175	Microsoft Word - pub_n_elmaci.doc Add to Reading List Source URL: web.iyte.edu.tr Language: English - Date: 2014-02-24 05:07:30 Cyanine Publishing Academic publishing Computational and Theoretical Chemistry Theoretical chemistry Karaca
176	Two and three dimensional problems Grid-based methods are very time consuming Ø  number of grid points proportional to Ld Add to Reading List Source URL: physics.bu.edu Language: English - Date: 2013-10-17 09:20:48 Computational chemistry Abstract algebra Quantum chemistry Theoretical chemistry Schrödinger equation Eigenvalues and eigenvectors Diagonalizable matrix Matrix Variational method Algebra Mathematics Linear algebra
177	Wang and Truhlar – NSF research, Feb. 2011 Computations on complex systems are a current frontier of theoretical chemistry, and much work is accomplished using Add to Reading List Source URL: t1.chem.umn.edu Language: English - Date: 2011-07-05 23:21:38 QM/MM Chemical bond Chemistry Computational chemistry Quantum chemistry
178	Schrödinger Becomes Exclusive Reseller of Altoris SARvision Products NEW YORK, NY, and San Diego, CA (April 1, 2014) – Schrödinger, Inc. and Altoris announced today that Schrödinger is the exclusive reseller of the Add to Reading List Source URL: www.altoris.com Language: English - Date: 2014-04-02 14:40:26 Science Erwin Schrödinger Mystics Schrödinger Computational chemistry Quantum chemistry Biotechnology Chemistry Physics Theoretical chemistry
179	Explicit Bound States for Certain N {Body Hamiltonians George A. Hagedorny Department of Mathematics and Center for Statistical Mechanics, Mathematical Physics, and Theoretical Chemistry, Add to Reading List Source URL: rene.ma.utexas.edu Language: English - Date: 2014-04-23 17:09:17 Quantum chemistry Quantum mechanics Computational chemistry Theoretical chemistry Molecular Hamiltonian Spectroscopy Hamiltonian Physics Chemistry Science
180	Condensed Matter Physics 2006, Vol. 9, No 1(45), pp. 151–159 Method of intermediate problems in the theory of Add to Reading List Source URL: users.i.kiev.ua Language: English - Date: 2011-03-27 19:35:40 Operator theory Quantum mechanics Quantum chemistry Computational chemistry Theoretical chemistry Eigenvalues and eigenvectors Hamiltonian Self-adjoint operator Variational method Physics Algebra Chemistry

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