Search Results

There are 60082 results for: content related to: Molecular mechanics and conformation

  1. Appendix 1: Published Force Field Parameters

    Reviews in Computational Chemistry, Volume 6

    Eiji Ōsawa, Kenny B. Lipkowitz, Pages: 355–381, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125830.ch6

  2. Electrostatic interactions in molecular mechanics (MM2) calculations via PEOE partial charges I. Haloalkanes

    Journal of Computational Chemistry

    Volume 9, Issue 4, June 1988, Pages: 424–440, Lars-Gunnar Hammarström, Tommy Liljefors and Johann Gasteiger

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540090418

  3. General and theoretical

    Enones: Volume 1 (1989)

    Saul Patai, Zvi Rappoport, Pages: 1–27, 2010

    Published Online : 16 JAN 2010, DOI: 10.1002/9780470772218.ch1

  4. Substituent Effects on Ground-State Molecular Structures and Charge Distributions

    Progress in Physical Organic Chemistry, Volume 16

    Robert W. Taft, Pages: 85–124, 2007

    Published Online : 4 APR 2007, DOI: 10.1002/9780470171950.ch2

  5. Updating the Molecular–Mechanical Force Field for Organic Halides

    Israel Journal of Chemistry

    Volume 20, Issue 1-2, 1980, Pages: 57–64, A. Y. Meyer, N. L. Allinger and Y. Yuh

    Version of Record online : 20 NOV 2013, DOI: 10.1002/ijch.198000053

  6. Molecular mechanics of organic halides. V. Conformational equilibria in solution

    Journal of Computational Chemistry

    Volume 2, Issue 4, Winter 1981, Pages: 384–391, A. Y. Meyer

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540020405

  7. Chlorosilanes: Development and application of MM2 force field parameters

    Journal of Computational Chemistry

    Volume 10, Issue 6, September 1989, Pages: 832–849, Soo Gyeong Cho, Rayomand J. Unwalla, Frank K. Cartledge and Salvatore Profeta Jr.

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540100606

  8. Molecular mechanics of organic halides. III. Fluorinated olefins

    Journal of Computational Chemistry

    Volume 1, Issue 2, Summer 1980, Pages: 111–117, A. Y. Meyer

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540010202

  9. Appendix: Published Force Field Parameters for Molecular Mechanics, Molecular Dynamics, and Monte Carlo Simulations

    Reviews in Computational Chemistry, Volume 14

    Mehran Jalaie, Kenny B. Lipkowitz, Pages: 441–486, 2007

    Published Online : 5 JAN 2007, DOI: 10.1002/9780470125915.ch7

  10. A study by molecular mechanics of the geometric isomers of benzene hexachloride, benzene tetrachloride, and naphthalene tetrachloride

    Journal of Computational Chemistry

    Volume 4, Issue 1, Spring 1983, Pages: 114–122, Peter B. D. De La Mare, David Hall and Nicola Pavitt

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540040116

  11. Structural chemistry of organic compounds containing selenium or tellurium

    Organic Selenium and Tellurium Compounds: Volume 1 (1986)

    István Hargittai, Béla Rozsondai, Pages: 63–155, 2010

    Published Online : 16 JAN 2010, DOI: 10.1002/9780470771761.ch3

  12. Remarks on the molecular mechanical calculations of functionalized hydrocarbons

    Journal of Computational Chemistry

    Volume 5, Issue 4, August 1984, Pages: 299–306, A. Y. Meyer

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540050404

  13. Structural chemistry of organosulfur compounds

    Sulphur-Containing Functional Groups (1993)

    Saul Patai, Zvi Rappoport, Pages: 101–174, 2010

    Published Online : 16 JAN 2010, DOI: 10.1002/9780470034408.ch2

  14. Validation of the general purpose QUANTA ®3.2/CHARMm® force field

    Journal of Computational Chemistry

    Volume 13, Issue 7, September 1992, Pages: 888–900, Frank A. Momany and Rebecca Rone

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540130714

  15. Molecular mechanics calculations (MM3) on alkyl iodides

    Journal of Physical Organic Chemistry

    Volume 7, Issue 8, August 1994, Pages: 420–430, Xuefeng Zhou and Norman L. Allinger

    Version of Record online : 12 OCT 2004, DOI: 10.1002/poc.610070806

  16. Molecular mechanics (MM3) studies of monochloroalkanes

    Journal of Physical Organic Chemistry

    Volume 10, Issue 1, January 1997, Pages: 3–21, Joong-Youn Shim, Norman L. Allinger and J. Phillip Bowen

    Version of Record online : 4 DEC 1998, DOI: 10.1002/(SICI)1099-1395(199701)10:1<3::AID-POC851>3.0.CO;2-A

  17. Two-dimensional directional wavelets in image processing

    International Journal of Imaging Systems and Technology

    Volume 7, Issue 3, Autumn(Fall) 1996, Pages: 152–165, J.-P. Antoine, P. Vandergheynst and R. Murenzi

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1098-1098(199623)7:3<152::AID-IMA1>3.0.CO;2-7

  18. Molecular mechanics calculations (MM3) on nitriles and alkynes

    Journal of Physical Organic Chemistry

    Volume 9, Issue 4, April 1996, Pages: 191–202, Elisheva Goldstein, Buyong Ma, Jenn-Huei Lii and Norman L. Allinger

    Version of Record online : 4 DEC 1998, DOI: 10.1002/(SICI)1099-1395(199604)9:4<191::AID-POC765>3.0.CO;2-9

  19. Molecular mechanics and molecular shape. V. on the computation of the bare surface area of molecules

    Journal of Computational Chemistry

    Volume 9, Issue 1, January/February 1988, Pages: 18–24, A. Y. Meyer

    Version of Record online : 7 SEP 2004, DOI: 10.1002/jcc.540090104

  20. Conformational and Chiroptical Properties of Alkyl Halides

    Standard Article

    Patai's Chemistry of Functional Groups

    James H. Brewster

    Published Online : 15 DEC 2009, DOI: 10.1002/9780470682531.pat0003