Theoretical chemistry

Results: 969



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351Quantum mechanics / Theoretical chemistry / Quantum chemistry / Introduction to quantum mechanics / Molecule / Quantum / Electron / Computational chemistry / Quantum computer / Physics / Chemistry / Science

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Source URL: www.ims.ac.jp

Language: English - Date: 2015-03-08 23:03:08
352Surface chemistry / Catalysis / Materials science / Colloidal chemistry / Particle physics / Chemisorption / Adsorption / Desorption / Molecule / Chemistry / Physics / Physical chemistry

Application of Desktop Grid in Surface Science Dr. C. Díaz Dr. M. F. Somers Theoretical Chemistry Department Leiden Institute of Chemistry

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Source URL: boinc.gorlaeus.net

Language: English - Date: 2008-04-08 04:25:26
353Theoretical chemistry / Anton / D. E. Shaw Research / David E. Shaw / Periodic boundary conditions / Simulation / Molecular dynamics / Chemistry / Computing

Anton: A Specialized ASIC for Molecular Dynamics Martin M. Deneroff, David E. Shaw, Ron O. Dror, Jeffrey S. Kuskin, Richard H. Larson, John K. Salmon, and Cliff Young D. E. Shaw Research

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Source URL: www.hotchips.org

Language: English - Date: 2013-07-28 00:05:49
354Energy / Carbon nanotube / ONIOM / Hydrogen / Hydride / Chemistry / Emerging technologies / Technology

Theoretical Study of Hydrogen @ Carbon Nanotubes and Nanoscrolls George E. Froudakis Assistant Professor Dept. of Chemistry

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Source URL: www.iphe.net

Language: English - Date: 2011-02-16 17:21:52
355Environmental Molecular Sciences Laboratory / Richland /  Washington / Tri-Cities /  Washington / United States Department of Energy National Laboratories / Nanoparticle / Ligand / Cerium(IV) oxide / Janus particles / Chemistry / Nanomaterials / Nanotechnology

EMSL Research and Capability Development Proposals Molecular-scale Visualization of Ligand Conformation on Functionalized Nanoparticles: A Combination of Experimental and Theoretical Studies Project start date: July 2010

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Source URL: www.emsl.pnnl.gov

Language: English - Date: 2015-03-24 18:38:01
356Quantum field theory / Quantum chemistry / Atomic physics / Luttinger liquid / Hubbard model / Electronic correlation / Spin / Electron / Angular momentum coupling / Physics / Condensed matter physics / Spintronics

Martin Hohenadler1 , Thomas C. Lang2 , Fakher F. Assaad1 1 Institute for Theoretical Physics and Astrophysics, University W¨ urzburg 2 Institute for Theoretical Solid State Physics C, RWTH Aachen University

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Source URL: www.the-conference.com

Language: English - Date: 2012-02-09 09:09:41
357Condensed matter physics / Quantum phases / Enrico Fermi / Electronic band structure / Fermi surface / Topology / Paramagnetism / Physics / Chemistry / Science

Testing Theoretical Scenarios for the Hidden Order in URu2Si2 With Three Dimensional Bulk Fermi Surface Mapping J. D. Denlinger1, O. Krupin1#, B.J. Kim2†, J. W. Allen2, K. Haule3, Kyoo Kim3, G. Kotliar3, J.L. Sarrao4,

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Source URL: www.the-conference.com

Language: English - Date: 2012-02-09 09:32:33
358Chemical bond / Phosphorus pentachloride / Carboxylic acid / Haloalkane / Chemical reaction / Nucleophilic substitution / Redox / Acyl chloride / Ionic bond / Chemistry / Chemical bonding / Functional groups

HKAL Chemistry Essay type questions with answers AL85C1 Explain how values of lattice energy may be derived from suitable thermochemical data; comment on any differences between experimentally derived and theoretical val

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Source URL: www.ychlccsc.edu.hk

Language: English - Date: 2007-01-20 08:33:32
359Density functional theory / Quantum chemistry / Theoretical chemistry / Time-dependent density functional theory / Quantum dot / Electron / Laser / Carbon nanotube / Anthony E. Siegman / Physics / Chemistry / Emerging technologies

Max Planck Institute for Microstructure Physics Theory Department ANALYSIS AND CONTROL OF ELECTRON DYNAMICS K. Krieger, M. Hellgren, M. Odashima, D. Nitsche, A. Castañeda Medina In the mid eighties, Runge and Gross dev

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Source URL: www2.mpi-halle.mpg.de

Language: English - Date: 2011-11-03 04:26:30
360Chemical bonding / Theoretical chemistry / Molecular physics / Ab initio quantum chemistry methods / Valence bond theory / Localized molecular orbitals / Chemical bond / Resonance / Multi-configurational self-consistent field / Chemistry / Quantum chemistry / Computational chemistry

Submitted to Journal of Chemical Theory and Computation rR Fo An Effective Hamiltonian Molecular Orbital©¤Valence Bond (MOVB)

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Source URL: www.dtc.umn.edu

Language: English - Date: 2012-08-16 12:29:07
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