Theoretical chemistry - PDFSEARCH.IO - Document Search Engine

Theoretical chemistry
Results: 969

#	Item
121	Energy Landscapes of Lattice Proteins Michael Wolfinger Institute for Theoretical Chemistry University Vienna July 26, 2005 Add to Reading List Source URL: www-embio.ch.cam.ac.uk Language: English - Date: 2005-07-26 06:11:12 Lattice Algebraic structures Lattice protein Protein structure
122	DFG-Center for Functional Nanostructures Head: Prof. Dr. Martin Wegener Add to Reading List Source URL: www.cfn.kit.edu Language: English - Date: 2012-11-29 11:00:49 Theoretical chemistry Karlsruhe Karlsruhe Institute of Technology Density functional theory Quantum chemistry Walter Kohn Chemistry Science Academia
123	2013 Digital Rates SciVerse ScienceDirect: Chemistry SciVerse ScienceDirect CHEMISTRY— Add to Reading List Source URL: www.elsevierpublishingsolutions.com Language: English - Date: 2013-07-26 09:17:39 Medicinal chemistry Inorganica Chimica Acta Analytica Chimica Acta Journal of Molecular Structure Computational and Theoretical Chemistry Journal of Medicinal Chemistry Journal of Chromatography A Journal of Chromatography B Tetrahedron Publishing Academic publishing Chemistry
124	. . Separation of a Slater determinant wave function with a neck structure into spatially localized subsystems Add to Reading List Source URL: www.phys.kyushu-u.ac.jp Language: English - Date: 2012-08-23 17:43:36 Pauli exclusion principle Theoretical chemistry Quantum mechanics Wave Slater determinant Physics Quantum chemistry Partial differential equations
125	DICP Symposium (XXXVII) on Theoretical Challenges in Small Molecule Dynamics A Satellite Meeting of the 15th International Congress of Quantum Chemistry Organizers Add to Reading List Source URL: www.sklmr.dicp.ac.cn Language: English - Date: 2015-05-27 22:14:20 Quantum chemistry Computational chemistry Potential energy surface Transition state theory Chemical physics Conical intersection Water dimer Chemistry Science Theoretical chemistry
126	APS March Meeting 2014 Denver, Colorado http://www.aps.org/meetings/march/index.cfm Monday, March 3, 2014 8:00AM - 11:00AM Add to Reading List Source URL: flux.aps.org Language: English - Date: 2014-03-27 14:32:14 Quantum mechanics Condensed matter physics Computational chemistry Theoretical chemistry Crystal Electronic band structure Hybrid functional Local-density approximation Axel D. Becke Physics Chemistry Density functional theory
127	THE JOURNAL OF CHEMICAL PHYSICS 133, Ground and excited electronic states of azobenzene: A quantum Monte Carlo study M. Dubecký,1 R. Derian,1 L. Mitas,2 and I. Štich1,a) 1 Add to Reading List Source URL: altair.physics.ncsu.edu Language: English - Date: 2011-10-09 23:09:35 Science Mathematical optimization Quantum Monte Carlo Variational Monte Carlo Density functional theory ACES Computational chemistry Chemistry Quantum chemistry Theoretical chemistry
128	Advanced Scientific Computing Research FY 2004 Accomplishment Add to Reading List Source URL: www.csm.ornl.gov Language: English - Date: 2006-06-15 16:48:14 Computational science Theoretical chemistry Numerical analysis Computational physics Partial differential equations Computational electromagnetics Computational chemistry Algorithm Hartree–Fock method Science Chemistry Mathematics
129	FOUNDATIONS OF DENSITY-FUNCTIONAL THEORY J. Hafner ¨ Materialphysik and Center for Computational Material Institut fur Add to Reading List Source URL: cms.mpi.univie.ac.at Language: English - Date: 2003-03-27 07:20:28 Chemistry Atomic physics Kohn–Sham equations Calculus of variations Local-density approximation Wave function Thomas–Fermi model Computational chemistry Theoretical chemistry Physics Density functional theory Quantum mechanics
130	DALTON2013 – Dalton Program Manual K. Aidas C. Angeli, K. L. Bak, V. Bakken, R. Bast, L. Boman, O. Christiansen, R. Cimiraglia, S. Coriani, P. Dahle, E. K. Dalskov, T. Enevoldsen, J. J. Eriksen, B. Fern´andez, L. Ferr Add to Reading List Source URL: www.daltonprogram.org Language: English - Date: 2015-02-18 11:40:57 Theoretical chemistry Chemical properties Computational chemistry Spectroscopy Nuclear magnetic resonance Dipole Basis set Chemistry Science Quantum chemistry

UPDATE