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Results:
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Results: 25
Authors:
Hwang, SG
Blanco, M
Demiralp, E
Cagin, T
Goddard, WA
Citation: Sg. Hwang et al., The MS-Q force field for clay minerals: Application to oil production, J PHYS CH B, 105(19), 2001, pp. 4122-4127
Authors:
Jang, YH
Sowers, LC
Cagin, T
Goddard, WA
Citation: Yh. Jang et al., First principles calculation of pK(a) values for 5-substituted uracils, J PHYS CH A, 105(1), 2001, pp. 274-280
Authors:
Goddard, WA
Cagin, T
Blanco, M
Vaidehi, N
Dasgupta, S
Floriano, W
Belmares, M
Kua, J
Zamanakos, G
Kashihara, S
Iotov, M
Gao, GH
Citation: Wa. Goddard et al., Strategies for multiscale modeling and simulation of organic materials: polymers and biopolymers, COMP TH POL, 11(5), 2001, pp. 329-343
Authors:
Cagin, T
Wang, GF
Martin, R
Zamanakos, G
Vaidehi, N
Mainz, DT
Goddard, WA
Citation: T. Cagin et al., Multiscale modeling and simulation methods with applications to dendritic polymers, COMP TH POL, 11(5), 2001, pp. 345-356
Authors:
Wang, GF
Strachan, A
Cagin, T
Goddard, WA
Citation: Gf. Wang et al., Molecular dynamics simulations of 1/2 a(111) screw dislocation in Ta, MAT SCI E A, 309, 2001, pp. 133-137
Authors:
Qi, Y
Strachan, A
Cagin, T
Goddard, WA
Citation: Y. Qi et al., Large scale atomistic simulations of screw dislocation structure, annihilation and cross-slip in FCCNi, MAT SCI E A, 309, 2001, pp. 156-159
Authors:
Strachan, A
Cagin, T
Goddard, WA
Citation: A. Strachan et al., Reply to "Comment on 'Phase diagram of MgO from density-functional theory and molecular-dynamics simulations' " - art. no. 096102, PHYS REV B, 6309(9), 2001, pp. 6102-6102
Authors:
Strachan, A
Cagin, T
Goddard, WA
Citation: A. Strachan et al., Critical behavior in spallation failure of metals - art. no. 060103, PHYS REV B, 6305(6), 2001, pp. 0103
Authors:
Qi, Y
Cagin, T
Johnson, WL
Goddard, WA
Citation: Y. Qi et al., Melting and crystallization in Ni nanoclusters: The mesoscale regime, J CHEM PHYS, 115(1), 2001, pp. 385-394
Authors:
Zhou, YH
Jiang, SY
Cagin, T
Yamaguchi, ES
Frazier, R
Ho, A
Tang, YC
Goddard, WA
Citation: Yh. Zhou et al., Application of the self-assembled monolayer (SAM) model to dithiophosphateand dithiocarbamate engine wear inhibitors, J PHYS CH A, 104(11), 2000, pp. 2508-2524
Authors:
Che, JW
Cagin, T
Goddard, WA
Citation: Jw. Che et al., Thermal conductivity of carbon nanotubes, NANOTECHNOL, 11(2), 2000, pp. 65-69
Authors:
Cagin, T
Wang, GF
Martin, R
Breen, N
Goddard, WA
Citation: T. Cagin et al., Molecular modelling of dendrimers for nanoscale applications, NANOTECHNOL, 11(2), 2000, pp. 77-84
Authors:
Hua, X
Cagin, T
Che, J
Goddard, WA
Citation: X. Hua et al., QM(DPT) and MD studies on formation mechanisms of C-60 fullerenes, NANOTECHNOL, 11(2), 2000, pp. 85-88
Authors:
La Francois, CJ
Jang, YH
Cagin, T
Goddard, WA
Sowers, LC
Citation: Cj. La Francois et al., Conformation and proton configuration of pyrimidine deoxynucleoside oxidation damage products in water, CHEM RES T, 13(6), 2000, pp. 462-470
Authors:
Che, JW
Cagin, T
Deng, WQ
Goddard, WA
Citation: Jw. Che et al., Thermal conductivity of diamond and related materials from molecular dynamics simulations, J CHEM PHYS, 113(16), 2000, pp. 6888-6900
Authors:
Che, JW
Cagin, T
Goddard, WA
Citation: Jw. Che et al., Generalized extended empirical bond-order dependent force fields includingnonbond interactions, THEOR CH AC, 102(1-6), 1999, pp. 346-354
Authors:
Che, JW
Cagin, T
Goddard, WA
Citation: Jw. Che et al., Studies of fullerenes and carbon nanotubes by an extended bond order potential, NANOTECHNOL, 10(3), 1999, pp. 263-268
Authors:
Cagin, T
Che, JW
Gardos, MN
Fijany, A
Goddard, WA
Citation: T. Cagin et al., Simulation and experiments on friction and wear of diamond: a material forMEMS and NEMS application, NANOTECHNOL, 10(3), 1999, pp. 278-284
Authors:
Kitao, O
Demiralp, E
Cagin, T
Dasgupta, S
Mikami, M
Tanabe, K
Goddard, WA
Citation: O. Kitao et al., Theoretical studies on VPI-5. 3. The MS-Q force field for aluminophosphatezeolites, COMP MAT SC, 14(1-4), 1999, pp. 135-137
Authors:
Strachan, A
Cagin, T
Goddard, WA
Citation: A. Strachan et al., Phase diagram of MgO from density-functional theory and molecular-dynamicssimulations, PHYS REV B, 60(22), 1999, pp. 15084-15093
Authors:
Cagin, T
Dereli, G
Uludogan, M
Tomak, M
Citation: T. Cagin et al., Thermal and mechanical properties of some fcc transition metals, PHYS REV B, 59(5), 1999, pp. 3468-3473
Authors:
Qi, Y
Cagin, T
Kimura, Y
Goddard, WA
Citation: Y. Qi et al., Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals: Cu-Ag and Cu-Ni, PHYS REV B, 59(5), 1999, pp. 3527-3533
Authors:
Demiralp, E
Cagin, T
Goddard, WA
Citation: E. Demiralp et al., Morse stretch potential charge equilibrium force field for ceramics: Application to the quartz-stishovite phase transition and to silica glass, PHYS REV L, 82(8), 1999, pp. 1708-1711
Authors:
Ikeda, H
Qi, Y
Cagin, T
Samwer, K
Johnson, WL
Goddard, WA
Citation: H. Ikeda et al., Strain rate induced amorphization in metallic nanowires, PHYS REV L, 82(14), 1999, pp. 2900-2903
Authors:
Huff, NT
Demiralp, E
Cagin, T
Goddard, WA
Citation: Nt. Huff et al., Factors affecting molecular dynamics simulated vitreous silica structures, J NON-CRYST, 253, 1999, pp. 133-142
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