Journal of Computational Chemistry

Results: 126



#Item
111Physical chemistry / Geometry / Science / Computational geometry / Voronoi diagram / Electrolyte / Battery / Precipitation / Gel / Diagrams / Discrete geometry / Chemistry

JOURNAL OF CHEMICAL PHYSICS VOLUME 120, NUMBER 5 1 FEBRUARY 2004

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Source URL: hantz.web.elte.hu

Language: English - Date: 2004-02-08 09:42:15
112Mechanosynthesis / Chemical bonding / Quantum chemistry / Tooltip / Hydrogen bond / Lead(II) chloride / Chemical bond / Bond order / Chemistry / Nanotechnology / Chemical synthesis

Copyright © 2011 American Scientific Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience

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Source URL: www.helcorp.com

Language: English - Date: 2014-01-16 16:15:26
113Molecular modelling / Phospholipase A2 / Bioinformatics / Protein structure / Computational chemistry / Apamin / Apitoxin / Phospholipase / Docking / Chemistry / Peripheral membrane proteins / Biology

Journal of Current Pharmaceutical Research 2013 ;11 (1): [removed]ISSN[removed]JCPR 2013;11 (1): 33-37 © 2010 Medipoeia Received[removed]

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Source URL: jcpronline.com

Language: English - Date: 2014-03-03 06:44:46
114Intermolecular forces / Organic chemistry / Stacking / Computational chemistry / Ab initio quantum chemistry methods / Chemical bond / Noncovalent bonding / Aromaticity / Chemistry / Chemical bonding / Supramolecular chemistry

Processes in Isotopes and Molecules Journal of Physics: Conference Series[removed][removed]IOP Publishing doi:[removed][removed]

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 10:28:17
115Particle / Computational science / Science / Computational fluid dynamics / Computational physics / Statistical mechanics / Computational chemistry / Molecular dynamics / Molecular modelling

Copyright © 2006 American Scientific Publishers All rights reserved Printed in the United States of America Journal of Computational and Theoretical Nanoscience

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Source URL: lmi.bwh.harvard.edu

Language: English - Date: 2007-11-28 13:12:51
116Chemistry / Blood–brain barrier / Drug discovery / Drug delivery to the brain / ADME / Partition coefficient / Drug design / Journal of Medicinal Chemistry / Pharmaceutical sciences / Medicinal chemistry / Pharmacology

CNS-Targeted Library Medicinal and Computational Chemistry Dept., ChemDiv, Inc., 6605 Nancy Ridge Drive, San Diego, CA[removed]USA, Service: +1 877 ChemDiv, Tel: +[removed], Fax: +[removed], Email: ChemDiv@chemdi

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Source URL: www.chemdiv.com

Language: English - Date: 2014-05-09 06:03:35
117Association of American Universities / Association of Independent Technological Universities / California Institute of Technology / San Gabriel Valley / Quantum chemistry / Chemical bond / Chemist / Physical chemistry / Quantum mechanics / Chemistry / Science / Computational chemistry

© Copyright 2000 by the American Chemical Society VOLUME 104, NUMBER 11, MARCH 23, 2000 Tribute to William Andrew Goddard III Why do we honor Bill Goddard with this issue of The Journal

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Source URL: www.wag.caltech.edu

Language: English - Date: 2004-04-05 04:25:25
118Computational chemistry / Molecular dynamics / Hamiltonian mechanics / Nosé–Hoover thermostat / Classical mechanics / Symplectic geometry / Hamiltonian / Physics / Chemistry / Science

THE JOURNAL OF CHEMICAL PHYSICS 126, 1 共2007兲 Hamiltonian dynamics of thermostated systems: Two-temperature 4 2 heat-conducting ␾ chains 1

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Source URL: www.williamhoover.info

Language: English - Date: 2007-05-02 14:20:53
119Crystal / Molecular dynamics / Ewald summation / Relaxation / Chemistry / Computational chemistry / Theoretical chemistry

THE JOURNAL OF CHEMICAL PHYSICS 122, 094508 共2005兲 Application of the Wolf damped Coulomb method to simulations of SiC

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Source URL: www.imslab.rutgers.edu

Language: English - Date: 2006-08-28 09:49:58
120Chemistry / Computational chemistry / Classical mechanics / Constraint algorithm / Holonomic constraints / Lagrangian mechanics / Holonomic / Lagrange multiplier / Equations of motion / Physics / Mathematics / Molecular dynamics

JOURNAL OF COMPUTATIONAL.

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Source URL: physics.ujep.cz

Language: English - Date: 2008-01-18 04:49:48
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