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sobolevnrm's Bayly [5 articles]

Recent papers posted to sobolevnrm's library by the author Bayly. You can also see everyone's Bayly.
  • Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method
    Journal of Computational Chemistry, Vol. 21, No. 2. (2000), pp. 132-146.
    by Araz Jakalian, Bruce L Bush, David B Jack, Christopher I Bayly
    posted to electrostatics molecular_dynamics molecular_simulation quantum_mechanics by sobolevnrm on 2008-07-01 02:49:19 as read along with 1 group baker-group
  • Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation.
    J Comput Chem, Vol. 23, No. 16. (December 2002), pp. 1623-1641.
    by A Jakalian, DB Jack, CI Bayly
    posted to electrostatics molecular_dynamics molecular_simulation quantum_mechanics by sobolevnrm on 2008-07-01 02:46:11 as read along with 2 people and 1 group lillekatt patricia baker-group
  • Current-Voltage Relations for Electrochemical Thin Films
    SIAM Journal on Applied Mathematics, Vol. 65, No. 5. (2005), pp. 1463-84.
    by MZ Bazant, KT Chu, BJ Bayly
    posted to biomembranes electrostatics by sobolevnrm on 2007-05-25 14:18:43 as read along with 1 group baker-group
  • A Well-Behaved Electrostatic Potential Based Method Using Charge Restraints for Deriving Atomic Charges - the Resp Model
    Journal of Physical Chemistry, Vol. 97, No. 40. (1993), pp. 10269-10280.
    by CI Bayly, P Cieplak, WD Cornell, PA Kollman
    posted to electrostatics molecular_dynamics by sobolevnrm on 2007-05-25 13:53:23 as read along with 1 group baker-group
  • A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules (Vol 117, Pg 5179, 1995)
    Journal of the American Chemical Society, Vol. 118, No. 9. (1995), pp. 2309-2309.
    by WD Cornell, P Cieplak, CI Bayly, IR Gould, KM Merz, DM Ferguson, DC Spellmeyer, T Fox, JW Caldwell, PA Kollman
    posted to molecular_simulation software by sobolevnrm on 2007-05-25 13:38:38 as read along with 1 group baker-group
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