Theoretical chemistry - PDFSEARCH.IO - Document Search Engine

Theoretical chemistry
Results: 969

#	Item
261	View Online / Journal Homepage / Table of Contents for this issue Chem Soc Rev Dynamic Article Links Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 06:51:09 Computational chemistry Theoretical chemistry Quantum chemistry Matrix theory Matrices Matrix Hartree–Fock method Diagonalizable matrix Density functional theory Algebra Chemistry Linear algebra
262	Absolute cross sections for excitation of the 2s S 2p P transition in B Add to Reading List Source URL: www-cfadc.phy.ornl.gov Language: English - Date: 2006-12-04 14:17:21 Atomic physics Molecular physics Ions Theoretical chemistry Electron Energy level Atomic orbital Ion source Plasma Chemistry Physics Quantum chemistry
263	View Online PCCP Dynamic Article Links Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2012-07-06 05:34:56 Science Theoretical chemistry Nanowire Introduction to quantum mechanics Quantum mechanics QM/MM CP2K Chemistry Physics Computational chemistry
264	J. Phys. Chem. C 2008, 112, 16655–Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom-Centered Orbitals: Application to Electron Injection Dynamics in Dye-Sensitized TiO2 Clusters Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:07 Theoretical chemistry Dye-sensitized solar cells Ultraviolet radiation Crystal Time-dependent density functional theory Molecular orbital Titanium dioxide Chemistry Computational chemistry Quantum chemistry
265	5.12 Lecture 8 VII. Overview of Chemical Reactions A. Chemical Reactions B. Classifications C. Radical Mechanism Add to Reading List Source URL: www.chemistry2011.org Language: English - Date: 2013-03-07 21:02:14 Quantum chemistry Theoretical chemistry Computational chemistry Molecular orbital diagram Molecular orbital Antibonding Chemical bond Electrophile Chemical reaction Chemistry Chemical bonding Physical organic chemistry
266	PHYSICAL REVIEW A 79, 063627 共2009兲 Ground-state properties of a Tonks-Girardeau gas in a periodic potential Bo-Bo Wei, Shi-Jian Gu, and Hai-Qing Lin Department of Physics and Institute of Theoretical Physics, The C Add to Reading List Source URL: www.phy.cuhk.edu.hk Language: English - Date: 2009-08-27 22:33:57 Atomic physics Quantum chemistry Quantum field theory Atomic orbital Tonks–Girardeau gas Bose–Einstein condensate Resonance Feshbach resonance Spin Physics Quantum mechanics Condensed matter physics
267	CALIFORNIA STATE SCIENCE FAIR 2015 PROJECT SUMMARY Name(s) Project Number Add to Reading List Source URL: www.usc.edu Language: English - Date: 2015-04-07 11:47:36 Science Theoretical chemistry Molecular dynamics NAMD AutoDock Heuristic Simulation Molecular modelling Chemistry Computational chemistry
268	SCIENCE CHINA Chemistry • REVIEWS • Progress of Projects Supported by NSFC · SPECIAL ISSUE · Chemical Methodology January 2014 Vol.57 No.1: 70–77 Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2015-04-22 02:25:20 Computational chemistry Theoretical chemistry Quantum chemistry Computational physics Atomic physics Time-dependent density functional theory Ab initio quantum chemistry methods Hartree–Fock method Density functional theory Chemistry Physics Science
269	THE UNIVERSITY OF HONG KONG Department of Chemistry, Physics and Strategic Theme on Computational Sciences JOINT SEMINAR Pragmatic Approaches in Time-dependent Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2009-11-30 04:30:27 Quantum chemistry Computational physics Density functional theory Computational chemistry Theoretical chemistry Time-dependent density functional theory Quantum dot Chemistry Physics Quantum mechanics
270	Article pubs.acs.org/JPCA Alternative Approach to Chemical Accuracy: A Neural NetworksBased First-Principles Method for Heat of Formation of Molecules Made of H, C, N, O, F, S, and Cl Jian Sun,,† Jiang Wu,† Tao Song Add to Reading List Source URL: yangtze.hku.hk Language: English* - Date: 2015-04-21 18:39:08 Bond-dissociation energy Theoretical chemistry Computational chemistry Hybrid functional

UPDATE