Works matching IS 01928651 AND DT 1993 AND VI 14 AND IP 11
Results: 17
Constrained optimization in cartesian coordinates.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1339, doi. 10.1002/jcc.540141111
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Comparison of two force fields by molecular dynamics simulations of glucose crystals: Effect of using ewald sums.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1281, doi. 10.1002/jcc.540141104
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Analysis of the genetic algorithm method of molecular conformation determination.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1385, doi. 10.1002/jcc.540141115
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Generalized morse analytic function for the 'true' diatomic potential of the RKR type.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1320, doi. 10.1002/jcc.540141108
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Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple-minima problem.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1333, doi. 10.1002/jcc.540141110
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Improved strategy in analytic surface calculation for molecular systems: Handling of singularities and computational efficiency.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1272, doi. 10.1002/jcc.540141103
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Ab initio molecular orbital calculations for 3,6-dihydro-1,2-dithiin and 3,6-dihydro-1,2-dioxin.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1376, doi. 10.1002/jcc.540141114
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Critical reevaluation of proximity effects in the barton oxidation and related intramolecular reactions.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1313, doi. 10.1002/jcc.540141107
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Partitioning the motion in molecular dynamics simulations into characteristic modes of motion.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1259, doi. 10.1002/jcc.540141102
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Use of locally dense basis sets for nuclear magnetic resonance shielding calculations.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1364, doi. 10.1002/jcc.540141113
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Optimization and application of lithium parameters for PM3.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1301, doi. 10.1002/jcc.540141106
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Conformational searching methods for small molecules. II. Genetic algorithm approach.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1407, doi. 10.1002/jcc.540141117
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Masthead.
- Published in:
- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. fmi, doi. 10.1002/jcc.540141101
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- Article
General atomic and molecular electronic structure system.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1347, doi. 10.1002/jcc.540141112
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Self-Similarity of solvent-accessible surfaces of biological and synthetical macromolecules.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1290, doi. 10.1002/jcc.540141105
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Computation of the mean residence time of water in the hydration shells of biomolecules.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1396, doi. 10.1002/jcc.540141116
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Modeling of magic water clusters (H<sub>2</sub>O)<sub>20</sub> and (H<sub>2</sub>O)<sub>21</sub>H<sup>+</sup> with the PM3 quantum-mechanical method.
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- Journal of Computational Chemistry, 1993, v. 14, n. 11, p. 1326, doi. 10.1002/jcc.540141109
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