Works matching IS 01928651 AND DT 1999 AND VI 20 AND IP 8
Results: 13
Generalized linear response method: Application to hydration free energy calculations.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 749, doi. 10.1002/(SICI)1096-987X(199906)20:8<749::AID-JCC1>3.0.CO;2-I
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Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 786, doi. 10.1002/(SICI)1096-987X(199906)20:8<786::AID-JCC5>3.0.CO;2-B
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Ab-initio study of initial atmospheric oxidation reactions of C<sub>3</sub> and C<sub>4</sub> alkanes.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 845, doi. 10.1002/(SICI)1096-987X(199906)20:8<845::AID-JCC9>3.0.CO;2-3
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Perturbative formulation of dispersion contributions to interaction energy of van der Waals systems of 'closed-shell-open-shell' type.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 857, doi. 10.1002/(SICI)1096-987X(199906)20:8<857::AID-JCC10>3.0.CO;2-#
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Computation of cavity shapes, sizes, and plasticities.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 781, doi. 10.1002/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T
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Exact analytical loop closure in proteins using polynomial equations.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 819, doi. 10.1002/(SICI)1096-987X(199906)20:8<819::AID-JCC8>3.0.CO;2-Y
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Simulation of slow reaction with quantum character: Neutral hydrolysis of carboxylic ester.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 886, doi. 10.1002/(SICI)1096-987X(199906)20:8<886::AID-JCC13>3.0.CO;2-J
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Continuous symmetry measures: Finding the closest C<sub>2</sub>-symmetric object or closest reflection-symmetric object using unit quaternions.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 772, doi. 10.1002/(SICI)1096-987X(199906)20:8<772::AID-JCC3>3.0.CO;2-U
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Program for analyzing knots represented by polygonal paths.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 813, doi. 10.1002/(SICI)1096-987X(199906)20:8<813::AID-JCC7>3.0.CO;2-I
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Some practical aspects of free energy calculations from molecular dynamics simulation.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 877, doi. 10.1002/(SICI)1096-987X(199906)20:8<877::AID-JCC12>3.0.CO;2-O
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Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 760, doi. 10.1002/(SICI)1096-987X(199906)20:8<760::AID-JCC2>3.0.CO;2-3
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U pack program package for crystal structure prediction: Force fields and crystal structure generation for small carbohydrate molecules.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 799, doi. 10.1002/(SICI)1096-987X(199906)20:8<799::AID-JCC6>3.0.CO;2-Z
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Quality criteria of genetic algorithms for construction of phylogenetic trees.
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- Journal of Computational Chemistry, 1999, v. 20, n. 8, p. 867, doi. 10.1002/(SICI)1096-987X(199906)20:8<867::AID-JCC11>3.0.CO;2-U
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