Theoretical chemistry

Results: 969



#Item
861Stereochemistry / Molecular orbital / Theoretical chemistry / Orbital hybridisation / Email / Atom / Delta bond / Chemistry / Chemical bonding / Quantum chemistry

GETTING STARTED WITH WEBMO To build molecule: 1. Touch “Build” 2. Choose atom (C, O, N, H, or Periodic Table) 3. Tap to insert atom and/or drag to insert bond 4. Choose Cleanup: Comprehensive to finish

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Source URL: www.webmo.net

Language: English - Date: 2014-01-26 15:29:15
862Computational chemistry / Abstract algebra / Quantum chemistry / Theoretical chemistry / Schrödinger equation / Eigenvalues and eigenvectors / Diagonalizable matrix / Matrix / Variational method / Algebra / Mathematics / Linear algebra

Two and three dimensional problems Grid-based methods are very time consuming Ø  number of grid points proportional to Ld

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Source URL: physics.bu.edu

Language: English - Date: 2013-10-17 09:20:48
863Computational chemistry / Density functional theory / Theoretical chemistry / NWChem / Implicit solvation / Q-Chem / CP2K / Adsorption / Chemistry / Science / Molecular modelling

Integrated Tools for Computational Chemical Dynamics (PNNL) October 2010

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Source URL: t1.chem.umn.edu

Language: English - Date: 2011-07-05 23:52:49
864QM/MM / Chemical bond / Chemistry / Computational chemistry / Quantum chemistry

Wang
and
Truhlar
–
NSF
research,
Feb.
2011 Computations on complex systems are a current frontier of theoretical chemistry, and much work is accomplished using

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Source URL: t1.chem.umn.edu

Language: English - Date: 2011-07-05 23:21:38
865Science / Erwin Schrödinger / Mystics / Schrödinger / Computational chemistry / Quantum chemistry / Biotechnology / Chemistry / Physics / Theoretical chemistry

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

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Source URL: www.altoris.com

Language: English - Date: 2014-04-02 14:40:26
866Chemical kinetics / Chemical engineering / Theoretical computer science / Equilibrium chemistry / Chemical reaction / Gene regulatory network / Stochastic / Stoichiometry / Reaction rate / Chemistry / Statistics / Science

Programmability of Chemical Reaction Networks Matthew Cook1 , David Soloveichik2, Erik Winfree2 , and Jehoshua Bruck2

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Source URL: paradise.caltech.edu

Language: English - Date: 2008-09-22 21:50:59
867Uranium / Isotope separation / Nuclear fuels / Nuclear chemistry / Nuclear reprocessing / Enriched uranium / Gas centrifuge / Nuclear fuel cycle / Eurodif / Nuclear technology / Nuclear physics / Chemistry

Theoretical Energy Required Per SWU ¥ From thermodynamics 4RT

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Source URL: fti.neep.wisc.edu

Language: English - Date: 1997-09-17 11:55:08
868

Ann Richard, Ph.D. Dr. Ann Richard obtained her PhD from the University of North Carolina Chapel Hill in Theoretical Physical Chemistry in[removed]She has been a Principal Investigator within EPA’s Office of Research & D

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Source URL: epa.gov

- Date: 2012-06-05 10:31:37
    869Quantum chemistry / Quantum mechanics / Computational chemistry / Theoretical chemistry / Molecular Hamiltonian / Spectroscopy / Hamiltonian / Physics / Chemistry / Science

    Explicit Bound States for Certain N {Body Hamiltonians George A. Hagedorny Department of Mathematics and Center for Statistical Mechanics, Mathematical Physics, and Theoretical Chemistry,

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    Source URL: rene.ma.utexas.edu

    Language: English - Date: 2014-04-23 17:09:17
    870Independence / Lattice models / Theoretical physics / Probability and statistics / Theoretical chemistry / Ising model / Physics / Statistical mechanics / Matrix

    Finitely Connected Vector Spin Systems with Random Matrix Interactions

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    Source URL: www.mth.kcl.ac.uk

    Language: English - Date: 2005-08-31 08:21:32
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