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Molecular orbital
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#	Item
91	J. Phys. Chem. A XXXX, xxx, 000 A On the Construction of Diabatic and Adiabatic Potential Energy Surfaces Based on Ab Initio Valence Bond Theory† Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Computational chemistry Chemical bonding Theoretical chemistry Quantum mechanics Diabatic Resonance Molecular orbital theory Valence bond theory Chemical bond Chemistry Physics Quantum chemistry
92	J. Phys. Chem. C 2008, 112, 16655–[removed]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
93	IIIB Paper 3 May 2011 answers 3.I8 - Solvents and Solvent Effects a) i) NH4+(g) + NMe 3(g) Add to Reading List Source URL: www.ch.ic.ac.uk Language: English - Date: 2012-02-05 03:34:46 Theoretical chemistry Hydrogen bond Supramolecular chemistry Chemical bond Hydrogen Electron Molecular orbital Quantum mechanics Carbene Chemistry Chemical bonding Quantum chemistry
94	THE JOURNAL OF CHEMICAL PHYSICS 128, 234108 共2008兲 The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force field Wangshen Xie, Lingchun Song, Donald Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Theoretical chemistry Basis set Hartree–Fock method Tight binding Atomic orbital Molecular orbital Molecular dynamics Conjugated system Force field Chemistry Quantum chemistry Computational chemistry
95	8514 J. Phys. Chem. A 2004, 108, [removed]Improving the Accuracy of Density-Functional Theory Calculation: The Statistical Correction Approach Add to Reading List Source URL: yangtze.hku.hk Language: English - Date: 2010-12-19 08:35:05 Theoretical chemistry Chemical bonding Density functional theory Hybrid functional Energy minimization Molecular orbital Quantum chemistry composite methods Chemistry Computational chemistry Quantum chemistry
96	ohio2/yjp-yjp/yjp-yjp/yjp99907/yjp5958d07z xppws 23:ver[removed]:10 Msc: jp-2008-04512f TEID: kbg00 BATID: jp10c111 J. Phys. Chem. B XXXX, xxx, [removed] Add to Reading List Source URL: www.dtc.umn.edu Language: English - Date: 2012-08-16 12:29:06 Molecular modelling Austin Model 1 Molecular dynamics Force field Fragment molecular orbital QM/MM Hartree–Fock method Mulliken population analysis NDDO Chemistry Computational chemistry Quantum chemistry
97	More on Using the CAChe Software: Formal Charge and Hybridization Page 123 More on Using the CAChe Molecular Modeling Software Add to Reading List Source URL: employees.oneonta.edu Language: English - Date: 2006-01-22 21:37:01 Theoretical chemistry Atomic physics Charge carriers Lewis structure Formal charge Chemical bond Lone pair Orbital hybridisation Ion Chemistry Chemical bonding Quantum chemistry
98	Low-energy Charged Particles in Atomic and Molecular Gases Michael A. Morrison, R. E. Robson, and R. D. White Contents Version 2.12: February 13, 2006 Preface Add to Reading List Source URL: www.nhn.ou.edu Language: English - Date: 2006-08-16 16:52:23 Quantum electrodynamics Chemical bonding Quantum chemistry Electron Kinetic theory Gas Molecular orbital Mean free path Atomic orbital Physics Introductory physics Scattering
99	Microsoft PowerPoint - AIChE 2008-Nov Design Expts talk.ppt Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2008-11-21 16:19:00 Chemical bonding David Gallagher Molecular orbital MOPAC Chemistry Science American Institute of Chemical Engineers
100	OCHeM.com ©1999 Thomas Poon Introductory Topics \| General Chemistry Review Learning Objectives Add to Reading List Source URL: ochem.jsd.claremont.edu Language: English - Date: 2014-08-22 19:58:02 Lewis structure Chemical bond VSEPR theory Orbital hybridisation Resonance Energy level Molecular orbital theory Molecular geometry Molecule Chemistry Chemical bonding Quantum chemistry

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