Theoretical chemistry

Results: 969



#Item
301Computational chemistry / Mathematical and theoretical biology / CCP4 / Protein structure / Biological databases / Protein Data Bank / STING / X-ray crystallography / Bioinformatics / Science / Chemistry / Crystallography

CCP4 NEWSLETTER ON PROTEIN CRYSTALLOGRAPHY An informal Newsletter associated with the BBSRC Collaborative Computational Project No. 4 on Protein Crystallography. Number 36

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Source URL: www.ccp4.ac.uk

Language: English - Date: 2008-03-25 13:21:53
302Symbol / Energy level / Spectral theory of ordinary differential equations / Littelmann path model / Chemistry / Spectroscopy / Theoretical chemistry

MIT OpenCourseWare http://ocw.mit.edu 5.80 Small-Molecule Spectroscopy and Dynamics Fall 2008

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-09 19:08:57
303Theoretical chemistry / Vinyl / Chemical bond / Phosphorus / Chemistry / Quantum chemistry / Electron configuration

Principles of Inorganic Chemistry III - Spring 2005 Professor Christopher Cummins, CopyrightMIT Department of ChemistryExam 1. INSTRUCTIONS This exam is not “open-book”, so do not take answer

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-29 22:05:14
304Computational chemistry / Quantum chemistry / Theoretical chemistry / Molecular dynamics / Molecular modelling / Quantum computer / Alavi / Chemistry / Theoretical computer science / Applied mathematics

  Do we really need Quantum Computers to simulate Quantum Chemistry? Prof. Ali Alavi MPI for Solid State Research, Stuttgart, DE

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Source URL: www.cecam.org

Language: English - Date: 2015-04-08 06:43:55
305Nuclear chemistry / Nuclear physics / Chemical elements / Stellar astronomy / Astrophysics / Nuclear fusion / Helium / Star / Electron / Physics / Chemistry / Matter

THEORETICAL PROBLEM No. 3 WHY ARE STARS SO LARGE? The stars are spheres of hot gas. Most of them shine because they are fusing hydrogen into helium in their central parts. In this problem we use concepts of both classica

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Source URL: www.jyu.fi

Language: English - Date: 2009-09-10 04:09:08
306Theoretical chemistry / Basis set superposition error / Energy minimization / Gaussian / Basis set / Chemistry / Quantum chemistry / Computational chemistry

CP-DRIVER MANUAL 4-Dec-00 Pedro Salvador Dept. of Chemistry, Oakland University, Rochester, Michigan, US

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Source URL: iqc.udg.es

Language: English - Date: 2003-12-15 11:37:37
307Molecular physics / Quantum chemistry / Computational chemistry / Theoretical chemistry / Spectroscopy / Quantum harmonic oscillator / Rigid rotor / Hamiltonian / Matrix / Chemistry / Physics / Science

MIT OpenCourseWare http://ocw.mit.edu 5.80 Small-Molecule Spectroscopy and Dynamics Fall 2008

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Source URL: www.chemistry2011.org

Language: English - Date: 2013-03-09 19:08:39
308Computational chemistry / Molecular modelling / Molecular dynamics / NAMD / Bioinformatics / Beckman Institute / National Institutes of Health / University of Illinois at Urbana–Champaign / Science / Champaign County /  Illinois / Medicine

Simulating Biomolecules on GPUs with the Multilevel Summation Method David J. Hardy Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology

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Source URL: www.ks.uiuc.edu

Language: English - Date: 2010-09-25 22:53:32
309Science / Biology / Cellular automaton / Unconventional computing / Norman Margolus / DNA computing / Wetware / Christof Teuscher / Chemical computer / Classes of computers / Theoretical computer science / Chemistry

Teuscher C. and Adamatzky A. (Eds.) Unconventional Computing 2005: From Cellular Automata to Wetware (Luniver Press, ISBN-10: 095511702X ISBN-13: Proceedings of the 2005 Workshop on Unconventional

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Source URL: uncomp.uwe.ac.uk

Language: English - Date: 2007-12-02 14:26:54
310Chemistry / University of California /  Santa Barbara / Density functional theory / Kavli Institute for Theoretical Physics / Condensed matter physics / Orbital-free density functional theory / Balázs Győrffy / Science / Physics / Walter Kohn

Dr. Walter Kohn Dr. Walter Kohn is an Austrian-born American theoretical physicist, fleeing Vienna in 1939 on the famous Kindertransport. Dr. Walter Kohn was awarded the Nobel Prize in Chemistry on October 13, 1998 for

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Source URL: thedanubememorial.org

Language: English - Date: 2012-08-13 22:53:55
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