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Results: 1-25 | 26-27
Results: 1-25/27
Effect of surface stiffness on the friction of sliding model hydroxylated alpha-alumina surfaces
Authors: Mann, DJ Zhong, LJ Hase, WL
Citation: Dj. Mann et al., Effect of surface stiffness on the friction of sliding model hydroxylated alpha-alumina surfaces, J PHYS CH B, 105(48), 2001, pp. 12032-12045
Direct dynamics simulations of the oxidation of a single wall carbon nanotube
Authors: Mann, DJ Hase, WL
Citation: Dj. Mann et Wl. Hase, Direct dynamics simulations of the oxidation of a single wall carbon nanotube, PHYS CHEM P, 3(19), 2001, pp. 4376-4383
Effect of surface stiffness on the efficiency of surface-induced dissociation
Authors: Meroueh, O Hase, WL
Citation: O. Meroueh et Wl. Hase, Effect of surface stiffness on the efficiency of surface-induced dissociation, PHYS CHEM P, 3(12), 2001, pp. 2306-2314
A hamiltonian with a subset of normal modes for studying mode-specific energy transfer in intermolecular collisions
Authors: Yan, TY Hase, WL
Citation: Ty. Yan et Wl. Hase, A hamiltonian with a subset of normal modes for studying mode-specific energy transfer in intermolecular collisions, J PHYS CH A, 105(12), 2001, pp. 2617-2625
Anharmonic semiclassical variational transition-state theory rate constantmodel for H atom association with different sites on the diamond {111} surface
Authors: Song, KY Hase, WL
Citation: Ky. Song et Wl. Hase, Anharmonic semiclassical variational transition-state theory rate constantmodel for H atom association with different sites on the diamond {111} surface, J PHYS CH A, 105(11), 2001, pp. 2453-2457
Dynamics of Ar+CH4/Ni{111} collision-induced desorption
Authors: Sun, LP Claire, PD Meroueh, O Hase, WL
Citation: Lp. Sun et al., Dynamics of Ar+CH4/Ni{111} collision-induced desorption, J CHEM PHYS, 114(1), 2001, pp. 535-544
Trajectory studies of S(N)2 nucleophilic substitution. 8. Central barrier dynamics for gas phase Cl-+CH3Cl
Authors: Sun, L Hase, WL Song, K
Citation: L. Sun et al., Trajectory studies of S(N)2 nucleophilic substitution. 8. Central barrier dynamics for gas phase Cl-+CH3Cl, J AM CHEM S, 123(24), 2001, pp. 5753-5756
Molecular dynamics simulations of the structures of alkane/hydroxylated alpha-Al2O3(0001) interfaces
Authors: Jin, RY Song, KY Hase, WL
Citation: Ry. Jin et al., Molecular dynamics simulations of the structures of alkane/hydroxylated alpha-Al2O3(0001) interfaces, J PHYS CH B, 104(12), 2000, pp. 2692-2701
Origin of the Boltzmann translational energy distribution in the scattering of hyperthermal Ne atoms off a self-assembled monolayer
Authors: Yan, TY Hase, WL
Citation: Ty. Yan et Wl. Hase, Origin of the Boltzmann translational energy distribution in the scattering of hyperthermal Ne atoms off a self-assembled monolayer, PCCP PHYS C, 2(4), 2000, pp. 901-910
Energy transfer pathways in the collisional activation of peptides
Authors: Meroueh, O Hase, WL
Citation: O. Meroueh et Wl. Hase, Energy transfer pathways in the collisional activation of peptides, INT J MASS, 201(1-3), 2000, pp. 233-244
Foreword - Gas phase ion chemistry: A fruitful playground for the interplay between experiment and theory
Authors: Hase, WL Koch, W
Citation: Wl. Hase et W. Koch, Foreword - Gas phase ion chemistry: A fruitful playground for the interplay between experiment and theory, INT J MASS, 201(1-3), 2000, pp. IX-X
Product energy and angular momentum partitioning in the unimolecular dissociation of aluminum clusters
Authors: Peslherbe, GH Hase, WL
Citation: Gh. Peslherbe et Wl. Hase, Product energy and angular momentum partitioning in the unimolecular dissociation of aluminum clusters, J PHYS CH A, 104(45), 2000, pp. 10556-10564
Structures, energies, and electrostatics for methane complexed with alumina clusters
Authors: Sawilowsky, EF Meroueh, O Schlegel, HB Hase, WL
Citation: Ef. Sawilowsky et al., Structures, energies, and electrostatics for methane complexed with alumina clusters, J PHYS CH A, 104(21), 2000, pp. 4920-4927
A QM/MM model for O(P-3) reaction with an alkyl thiolate self-assembled monolayer
Authors: Li, G Bosio, SBM Hase, WL
Citation: G. Li et al., A QM/MM model for O(P-3) reaction with an alkyl thiolate self-assembled monolayer, J MOL STRUC, 556(1-3), 2000, pp. 43-57
Parallel molecular dynamics simulations of alkane/hydroxylated alpha-aluminum oxide interfaces
Authors: Roy, S Jin, RY Chaudhary, V Hase, WL
Citation: S. Roy et al., Parallel molecular dynamics simulations of alkane/hydroxylated alpha-aluminum oxide interfaces, COMP PHYS C, 128(1-2), 2000, pp. 210-218
Identifying trapping desorption in gas-surface scattering
Authors: Yan, TY Hase, WL Barker, JR
Citation: Ty. Yan et al., Identifying trapping desorption in gas-surface scattering, CHEM P LETT, 329(1-2), 2000, pp. 84-91
Comparison of explicit and united atom models for alkane chains physisorbed on alpha-Al2O3 (0001)
Authors: Bolton, K Bosio, SBM Hase, WL Schneider, WF Hass, KC
Citation: K. Bolton et al., Comparison of explicit and united atom models for alkane chains physisorbed on alpha-Al2O3 (0001), J PHYS CH B, 103(19), 1999, pp. 3885-3895
A QM/MM direct dynamics trajectory investigation of trimethylene decomposition in an argon bath
Authors: Bolton, K Hase, WL Doubleday, C
Citation: K. Bolton et al., A QM/MM direct dynamics trajectory investigation of trimethylene decomposition in an argon bath, J PHYS CH B, 103(18), 1999, pp. 3691-3698
An ab initio quasi-classical direct dynamics investigation of the F+C2H4 -> C2H3F+H product energy distributions
Authors: Bolton, K Schlegel, HB Hase, WL Song, KY
Citation: K. Bolton et al., An ab initio quasi-classical direct dynamics investigation of the F+C2H4 -> C2H3F+H product energy distributions, PCCP PHYS C, 1(6), 1999, pp. 999-1011
Collisional activation of small peptides
Authors: Meroueh, O Hase, WL
Citation: O. Meroueh et Wl. Hase, Collisional activation of small peptides, J PHYS CH A, 103(20), 1999, pp. 3981-3990
Computer simulation of sliding hydroxylated alumina surfaces
Authors: Mann, DJ Hase, WL
Citation: Dj. Mann et Wl. Hase, Computer simulation of sliding hydroxylated alumina surfaces, TRIBOL LETT, 7(2-3), 1999, pp. 153-159
Monte Carlo sampling for classical trajectory simulations
Authors: Peslherbe, GH Wang, HB Hase, WL
Citation: Gh. Peslherbe et al., Monte Carlo sampling for classical trajectory simulations, ADV CH PHYS, 105, 1999, pp. 171-201
Ab initio classical trajectories on the Born-Oppenheimer surface: Hessian-based integrators using fifth-order polynomial and rational function fits
Authors: Millam, JM Bakken, V Chen, W Hase, WL Schlegel, HB
Citation: Jm. Millam et al., Ab initio classical trajectories on the Born-Oppenheimer surface: Hessian-based integrators using fifth-order polynomial and rational function fits, J CHEM PHYS, 111(9), 1999, pp. 3800-3805
Fitting classical microcanonical unimolecular rate constants to a modifiedRRK expression: Anharmonic and variational effects
Authors: Song, K Hase, WL
Citation: K. Song et Wl. Hase, Fitting classical microcanonical unimolecular rate constants to a modifiedRRK expression: Anharmonic and variational effects, J CHEM PHYS, 110(13), 1999, pp. 6198-6207
Ab initio direct dynamics trajectory study of the Cl-+CH(3)ClS(N)2 reaction at high reagent translational energy
Authors: Li, GS Hase, WL
Citation: Gs. Li et Wl. Hase, Ab initio direct dynamics trajectory study of the Cl-+CH(3)ClS(N)2 reaction at high reagent translational energy, J AM CHEM S, 121(30), 1999, pp. 7124-7129
Risultati: 1-25 | 26-27