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There are 28421 results for: content related to: Gabedit—A graphical user interface for computational chemistry softwares

  1. You have free access to this content
    Appendix A: Software Packages

    Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems

    David C. Young, Pages: 322–359, 2002

    Published Online : 25 APR 2002, DOI: 10.1002/0471220655.app1

  2. Natural bond orbital analysis in the ONETEP code: Applications to large protein systems

    Journal of Computational Chemistry

    Volume 34, Issue 6, 5 March 2013, Pages: 429–444, Louis P. Lee, Daniel J. Cole, Mike C. Payne and Chris-Kriton Skylaris

    Version of Record online : 15 OCT 2012, DOI: 10.1002/jcc.23150

  3. Recent performance improvements to the DFT and TDDFT in GAMESS

    Journal of Computational Chemistry

    Volume 33, Issue 7, 15 March 2012, Pages: 723–731, Michael E. Lasinski, Nichols A. Romero, Shawn T. Brown and Jean-Philippe Blaudeau

    Version of Record online : 13 JAN 2012, DOI: 10.1002/jcc.22890

  4. Motivated Strategies for Judgment: How Preferences for Particular Judgment Processes can Affect Judgment Outcomes

    Social and Personality Psychology Compass

    Volume 6, Issue 2, February 2012, Pages: 156–169, Daniel C. Molden

    Version of Record online : 9 FEB 2012, DOI: 10.1111/j.1751-9004.2011.00424.x

  5. The Interplay of Temperament and Regulatory Focus on Consumer Problem-Solving Modes

    Social and Personality Psychology Compass

    Volume 2, Issue 4, July 2008, Pages: 1703–1718, Todd A. Mooradian, Kenneth C. Herbst and Kurt Matzler

    Version of Record online : 28 JUN 2008, DOI: 10.1111/j.1751-9004.2008.00128.x

  6. Comparison of grey scale median (GSM) measurement in ultrasound images of human carotid plaques using two different softwares

    Clinical Physiology and Functional Imaging

    Volume 33, Issue 6, November 2013, Pages: 431–435, Gerd Östling, Margaretha Persson, Bo Hedblad and Isabel Gonçalves

    Version of Record online : 13 MAY 2013, DOI: 10.1111/cpf.12049


    Irrigation and Drainage

    Volume 62, Issue 2, April 2013, Pages: 208–220, Emmanuel Mwendera and Pius Chilonda

    Version of Record online : 26 MAR 2013, DOI: 10.1002/ird.1723

  8. Influence of Water and Fatty Acid Molecules on Quantum Photoinduced Electron Tunneling in Self-Assembled Photosynthetic Centers of Minimal Protocells

    Multiscale Simulation Methods for Nanomaterials

    A. Tamulis, V. Tamulis, H. Ziock, S. Rasmussen, Pages: 9–27, 2007

    Published Online : 30 APR 2007, DOI: 10.1002/9780470191675.ch2

  9. You have free access to this content
    Determining the Dynamics of Agricultural Water Use: Cases from Asia and Africa

    Journal of Contemporary Water Research & Education

    Volume 153, Issue 1, April 2014, Pages: 79–90, Lisa-Maria Rebelo, Robyn Johnston, Poolad Karimi and Peter G. McCornick

    Version of Record online : 22 JUL 2014, DOI: 10.1111/j.1936-704X.2014.03182.x

  10. Proposal for common data transfer format for simulation softwares used in surface electron spectroscopies

    Surface and Interface Analysis

    Volume 46, Issue 10-11, October-November 2014, Pages: 931–935, Hideki Yoshikawa, Kazuhiro Yoshihara, Daisuke Watanabe, Hiromi Tanaka and Shigeo Tanuma

    Version of Record online : 19 JAN 2014, DOI: 10.1002/sia.5390

  11. Computer Simulation to Predict Possible Crystal Polymorphs

    Reviews in Computational Chemistry, Volume 12

    Paul Verwer, Frank J. J. Leusen, Pages: 327–365, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125892.ch7


    JAWRA Journal of the American Water Resources Association

    Volume 25, Issue 2, April 1989, Pages: 401–411, James W. Warner, David Molden, Mondher Chehata and Daniel K Sunada

    Version of Record online : 8 JUN 2007, DOI: 10.1111/j.1752-1688.1989.tb03077.x

  13. Derivation of net atomic charges from molecular electrostatic potentials

    Journal of Computational Chemistry

    Volume 11, Issue 3, April 1990, Pages: 297–310, Robert J. Woods, Maged Khalil, Wendy Pell, Steven H. Moffat and Vedene H. Smith Jr.

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540110304

  14. Leveraging Motivational Mindsets to Foster Positive Interracial Interactions

    Social and Personality Psychology Compass

    Volume 5, Issue 2, February 2011, Pages: 118–131, Mary C. Murphy, Jennifer A. Richeson and Daniel C. Molden

    Version of Record online : 1 FEB 2011, DOI: 10.1111/j.1751-9004.2010.00338.x

  15. Aromaticity of bent benzene rings: A VBSCF study

    International Journal of Quantum Chemistry

    Volume 74, Issue 2, 1999, Pages: 213–221, Fokke Dijkstra and Joop H. Van Lenthe

    Version of Record online : 23 JUN 1999, DOI: 10.1002/(SICI)1097-461X(1999)74:2<213::AID-QUA16>3.0.CO;2-7

  16. Appendix: Compendium of Software for Molecular Modeling

    Reviews in Computational Chemistry, Volume 7

    Kenny B. Lipkowitz, Donald B. Boyd, Pages: 303–380, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125847.ch7

  17. General atomic and molecular electronic structure system

    Journal of Computational Chemistry

    Volume 14, Issue 11, November 1993, Pages: 1347–1363, Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz, Steven T. Elbert, Mark S. Gordon, Jan H. Jensen, Shiro Koseki, Nikita Matsunaga, Kiet A. Nguyen, Shujun Su, Theresa L. Windus, Michel Dupuis and John A. Montgomery Jr

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540141112

  18. Implementing Neural Networks, Classification Trees, and Rule Induction Classification Techniques: An Application to Credit Risk

    Applied Quantitative Methods for Trading and Investment

    Christian L. Dunis, Jason Laws, Patrick Naïm, Pages: 163–192, 2005

    Published Online : 28 JAN 2005, DOI: 10.1002/0470013265.ch5

  19. You have free access to this content
    The planetary water drama: Dual task of feeding humanity and curbing climate change

    Geophysical Research Letters

    Volume 39, Issue 15, 16 August 2012, J. Rockström, M. Falkenmark, M. Lannerstad and L. Karlberg

    Version of Record online : 1 AUG 2012, DOI: 10.1029/2012GL051688

  20. Performance assessment, irrigation service delivery and poverty reduction: benefits of improved system management

    Irrigation and Drainage

    Volume 56, Issue 2-3, April - July 2007, Pages: 307–320, David Molden, Martin Burton and M. G. Bos

    Version of Record online : 23 MAR 2007, DOI: 10.1002/ird.313