D. J. Diestler

发表

Quantum‐Mechanical Treatment of Inelastic Collisions. II. Exchange Reactions

V. McKoy, D. J. Diestler, 1968 .

Quasi-classical theory of electronic flux density in electronically adiabatic molecular processes.

D. J. Diestler, D J Diestler, 2012, The journal of physical chemistry. A.

Calculation of transition probabilities for collinear atom–diatom and diatom–diatom collisions with Lennard-Jones interaction

V. Gutschick, V. McKoy, D. J. Diestler, 1970 .

Monte Carlo Methods in Classical Statistical Mechanics

J. H. Cushman, M. Schoen, D. J. Diestler, 1990 .

Quantum Simulation of High-Order Harmonic Spectra of the Hydrogen Atom

André D. Bandrauk, Szczepan Chelkowski, Jörn Manz, 2009 .

Ultrathin fluid films confined to a chemically heterogeneous slit-shaped nanopore

M. Schoen, D. J. Diestler, 1997 .

Isothermal–isobaric molecular dynamics simulation of liquid water

D. J. Diestler, I. Ruff, 1990 .

Comparison of boundary-value and initial-value methods for the accurate quantum-mechanical solution of the collinear reactive scattering problem☆

Donald G. Truhlar, Aron Kuppermann, D. Truhlar, 1972 .

Monte Carlo calculation of chemical potential for the Stockmayer fluid

J. H. Cushman, D. J. Diestler, K. Han, 1992 .

Chemically Realistic Tetrahedral Lattice Models for Polymer Chains: Application to Polyethylene Oxide.

E. Knapp, D. J. Diestler, Johannes C. B. Dietschreit, 2016, Journal of chemical theory and computation.

A model study of collision induced dissociation of a diatomic molecule by an atom

A. Wagner, D. J. Diestler, Louis W. Ford, 1975 .

Quantum‐mechanical treatment of collision‐induced dissociation

E. Knapp, D. J. Diestler, 1977 .

Close-coupling calculation of quantum-mechanical probabilities for collision-induced dissociation☆

E. Knapp, D. J. Diestler, Y.-W. Lin, 1977 .

Liquid-vapor coexistence in a chemically heterogeneous slit-nanopore

M. Schoen, D. J. Diestler, 1997 .

Theoretical Studies of Vibrational Energy Relaxation of Small Molecules in Dense Media

D. J. Diestler, 2007 .

Effects of Variations of the Potential-Energy Surface on the Attributes of Simple Exchange Reactions: Classical Calculations

D. J. Diestler, K. Fong, 1972 .

On the Thermodynamic Stability of Confined Thin Films Under Shear

J. H. Cushman, M. Schoen, D. J. Diestler, 1993, Science.

Nonradiative vibrational relaxation of diatomic molecules isolated in solid rare-gas matrices

D. J. Diestler, 1974 .

Comparison of Accurate Quantum‐Mechanical Probabilities with Classical and Transition‐State Theory Results for the Collinear Exchange Reaction H + H2 → H2 + H

M. Karplus, D. J. Diestler, 1971 .

Slit-pore sorption isotherms by the grand-canonical Monte Carlo method

J. H. Cushman, M. Schoen, D. J. Diestler, 1989 .

From free-energy profiles to activation free energies.

C. Ochsenfeld, D. J. Diestler, Johannes C. B. Dietschreit, 2022, The Journal of chemical physics.

The relaxation of local modes of vibrationally-hot molecules in cold environments: anharmonicity and condensed phase effects

A. Zewail, D. J. Diestler, 1979 .

Coupled-channels quantum theory of electronic flux density in electronically adiabatic processes: fundamentals.

D. J. Diestler, 2012, The journal of physical chemistry. A.

Vibronic dephasing of anharmonic molecules. I. Theory and its application to the separability of intra‐ and intermolecular processes

A. Zewail, D. J. Diestler, 1979 .

Fluids in micropores. V. Effects of thermal motion in the walls of a slit‐micropore

M. Schoen, D. J. Diestler, 1996 .

Fluids in micropores. III. Self‐diffusion in a slit‐pore with rough hard walls

J. H. Cushman, M. Schoen, D. J. Diestler, 1991 .

Interfacial tension in confined molecularly-thin films

J. H. Cushman, M. Schoen, D. J. Diestler, 1994 .

Comparison of perturbation and direct-numerical-integration techniques for the calculation of phase shifts for elastic scattering

A. Wagner, D. J. Diestler, J. Riehl, 1974 .

Quantum‐Mechanical Transition Probabilities for Atom–Atomic‐Oscillator Collisions with Morse Potential Interaction

D. J. Diestler, P. Feuer, 1971 .

Quantum‐Mechanical Solution of the Collinear Atom–Diatomic Collision with a Linear Interaction Potential

D. J. Diestler, 1970 .

Statistical Mechanics of the Stability of Multivalent Ligand−Receptor Complexes†

E. Knapp, D. J. Diestler, 2010 .

Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes.

Hua‐Jin Zhai, J. Manz, Yan-Bo Wu, 2015, Physical chemistry chemical physics : PCCP.

Carbonium Ion Salts. III. Spectra and Decomposition of Tropenium Halides in Methylene Chloride

D. J. Diestler, F. E. Cummings, K. Harmon, 1962 .

Theory of Activated Radiationless Processes: Orientation Relaxation of Polar Molecules

D. J. Diestler, F. K. Fong, 1972 .

Radiationless Processes in Molecules and Condensed Phases

D. J. Diestler, F. K. Fong, Francis K. Fong, 1976 .

Carbonium Ion Salts. IX. Hydrogen Dihalides1,2

D. J. Diestler, K. Harmon, K. Benker, 1965 .

Fluids in micropores. IV. The behavior of molecularly thin confined films in the grand isostress ensemble

J. H. Cushman, M. Schoen, D. J. Diestler, 1994 .

Vibrational relaxation of molecules in condensed media

D. J. Diestler, 1976 .

Quantum dynamics of vibrational relaxation in condensed media

R. S. Wilson, D. J. Diestler, 1975 .

Many‐Body Processes in Nonradiative Energy Transfer between Ions in Crystals

D. J. Diestler, F. K. Fong, 1972 .

Quantum‐dynamical model for thermal desorption of gases from solid surfaces

B. Garrison, S. Adelman, D. J. Diestler, 1977 .

Charge Migration in Eyring, Walter and Kimball's 1944 Model of the Electronically Excited Hydrogen-Molecule Ion.

J. Manz, D. J. Diestler, G. Hermann, 2017, The journal of physical chemistry. A.

Fluids in micropores. I. Structure of a simple classical fluid in a slit-pore

J. H. Cushman, M. Schoen, D. J. Diestler, 1987 .

Model for vibrational dephasing of diatomic molecules in liquids Liquid N2 and O2

J. Manz, D. J. Diestler, 1977 .

A molecular dynamics study of vibrational relaxation in a diatomic molecular liquid

D. J. Diestler, J. Riehl, 1976 .

Molecular Mechanisms for Dephasing: Toward a Unified Treatment of Gases, Solids and Liquids

A. Zewail, D. J. Diestler, K. E. Jones, 1978 .

Vibrational phase and energy relaxation in the broadening of Raman spectral lines in dense media

D. J. Diestler, 1976 .

Influence of Attractive Forces on the Quantum‐Mechanical Transition Probabilities for Atom‐Diatomic Oscillator Collisions

R. E. Roberts, D. J. Diestler, 1972 .

Collision-Induced Dissociation I: Quantal Treatment

D. J. Diestler, 1979 .

Vibrational energy relaxation of diatomic molecules isolated in rare‐gas matrices: Role of orientational motions

E. Knapp, D. J. Diestler, H. Ladouceur, 1978 .

Role of pseudomolecules in vibrational relaxation in solidsa)

D. J. Diestler, H. Ladouceur, 1979 .

Vibronic dephasing of anharmonic molecules. II. Impurity molecules isolated in low‐temperature matrices

A. Zewail, D. J. Diestler, 1979 .

Analysis of infrared absorption line shapes in condensed media: Application of a classical limit of Heisenberg’s equations of motion

D. J. Diestler, 1983 .

Model for vibrational relaxation of diatomic molecules in simple monatomic liquids

D. J. Diestler, 1975 .

Phase transformations in slit-pores: the role of metastable phases

S. Klapp, H. Bock, M. Schoen, 2002 .

On the quantum dynamics of relaxation of a two-level system coupled to a thermal bath

D. J. Diestler, 1976 .

Solvation forces in thin films confined between macroscopically curved substrates

M. Schoen, D. J. Diestler, T. Gruhn, 1998 .

Direct Laser Pumping of Adatom-Surface Vibrational Modes

D. J. Diestler, M. Riley, 1985, Topical Meeting on Microphysics of Surfaces, Beams, and Adsorbates.

Quantum Mechanics of One‐Dimensional Two‐Particle Models. Electrons Interacting in an Infinite Square Well

V. McKoy, D. J. Diestler, 1967 .

Quantum-mechanical models for photo-ionization: Uni-directional electron re-scattering by a laser pulse

A. Bandrauk, J. Manz, D. J. Diestler, 2008 .

Transient coexisting nanophases in ultrathin films confined between corrugated walls

J. H. Cushman, M. Schoen, D. J. Diestler, 1994 .

On the calculation of classical time‐autocorrelation functions: Resolution of the Liouville operator

J. Allen, D. J. Diestler, 1980 .

Analytical treatment of a simple fluid adsorbed in a slit-pore

M. Schoen, D. J. Diestler, 1998 .

The discretization of continuous infinite sets of coupled ordinary linear differential equations: Application to the collision-induced dissociation of a diatomic molecule by an atom

D. J. Diestler, 1982 .

Epitaxy in simple classical fluids in micropores and near-solid surfaces

J. H. Cushman, D. J. Diestler, C. Rhykerd, 1987, Nature.

Reduced equations of motion for molecule–surface scattering

D. J. Diestler, M. Riley, 1988 .

A velocity reset method of simulating thermal motion and damping in gas–solid collisions

M. Coltrin, D. J. Diestler, M. Riley, 1988 .

Tests of approximations for inelastic molecule–surface scattering dynamics

D. J. Diestler, M. Riley, 1987 .

Inelastic scattering and trapping of an atom on a cold, simple-cubic lattice

D. J. Diestler, M. Riley, 1986 .

Localized modes of an adatom bound to a harmonic lattice

D. J. Diestler, M. Riley, 1986 .

A critique of the Brownian approximation to the generalized Langevin equation in lattice dynamics

D. J. Diestler, M. Riley, 1985 .

Energy transfer in the collision of an atom with a cold lattice

D. J. Diestler, M. Riley, 1984 .

Influence of Variations of the Potential‐Energy Surface on Exchange‐Reaction Probabilities

D. J. Diestler, 1972 .

Coupled‐Channels Approach to the Quantum‐Mechanical Treatment of Chemical Exchange Reactions

D. J. Diestler, 1969 .

Close‐Coupling Technique for Chemical Exchange Reaction of the Type A+BC→AB+C. H+H2→H2+H

D. J. Diestler, 1971 .

Quantum‐Mechanical Treatment of Inelastic Collisions. I. General Theory and Application to Nonreactive Collisions

V. McKoy, D. J. Diestler, 1968 .

Exact Quantum‐Mechanical Transition Probabilities for the Landau—Teller Interaction

R. E. Roberts, D. J. Diestler, 1972 .

Hemiquantal mechanics. I. Vibrational predissociation of van der Waals molecules

D. J. Diestler, L. L. Halcomb, 1986 .

From free-energy profiles to activation free energies.

C. Ochsenfeld, D. J. Diestler, Johannes C. B. Dietschreit, 2022, The Journal of chemical physics.

How to obtain reaction free energies from free-energy profiles.

C. Ochsenfeld, D. J. Diestler, Johannes C. B. Dietschreit, 2022, The Journal of chemical physics.

Dynamical Calculations on Transport Processes

J. W. Allen, D. J. Diestler, 1983 .

Harmonic generation: Quantum-electrodynamical theory of the harmonic photon-number spectrum

D. J. Diestler, 2008 .

Statistical Thermodynamic Treatment of the AFM Tip in Liquid

K. Koga, D. J. Diestler, X. Zeng, 1998 .

Fluids in micropores. II. Self‐diffusion in a simple classical fluid in a slit pore

John H. Cushman, C. L. Rhykerd, J. H. Cushman, 1988 .

A new computational approach to the chemical potential

J. H. Cushman, D. J. Diestler, K. Han, 1990 .

Shear Forces in Molecularly Thin Films

J. H. Cushman, M. Schoen, D. J. Diestler, 1989, Science.

A molecular dynamics study of water near silicate surfaces

J. H. Cushman, D. Mulla, P. F. Low, 1984 .

Stratification‐induced order–disorder phase transitions in molecularly thin confined films

J. H. Cushman, M. Schoen, D. J. Diestler, 1994 .

Anomalous diffusion in confined monolayer films

J. H. Cushman, M. Schoen, D. J. Diestler, 1994 .

Isostress-isostrain ensemble Monte Carlo simulation of second order phase transitions in a confined monolayer fluid

J. H. Cushman, M. Schoen, D. J. Diestler, 1993 .

Na2 Vibrating in the Double-Well Potential of State 2 1Σu+ (JM = 00): A Pulsating "Quantum Bubble" with Antagonistic Electronic Flux.

J. Manz, D. J. Diestler, Y. Yang, 2018, Journal of Physical Chemistry A.

Influence of spacer-receptor interactions on the stability of bivalent ligand-receptor complexes.

E. Knapp, D. J. Diestler, J. Numata, 2012, The journal of physical chemistry. B.

An extension of the quasicontinuum treatment of multiscale solid systems to nonzero temperature.

X. Zeng, D. J. Diestler, Z. Wu, 2004, The Journal of chemical physics.

Hybrid atomistic-coarse-grained treatment of thin-film lubrication. I.

R. Feng, X. Zeng, D. J. Diestler, 2004, The Journal of chemical physics.

Statistical thermodynamics of the stability of multivalent ligand-receptor complexes.

E. Knapp, D. J. Diestler, 2008, Physical review letters.

Thermodynamics of a fluid confined to a slit pore with structured walls

J. H. Cushman, M. Schoen, D. J. Diestler, 1994 .

Coarse-graining description of solid systems at nonzero temperature

R. Feng, D. J. Diestler, X. Zeng, 2003 .

Statistical Thermodynamics of the Fluid−Solid Interface

D. J. Diestler, 1996 .

Comparison of approximate methods for computation of the concerted adiabatic electronic and nuclear fluxes in aligned H2+(2Σg+)

J. Manz, D. J. Diestler, J. F. Pérez-Torres, 2018, Chemical Physics.

Constrained statistical thermodynamic treatment of friction

D. J. Diestler, 2002 .

Universal formulas for classical transport coefficients: The zero‐frequency component

J. Allen, D. J. Diestler, 1980 .

Grand canonical Monte Carlo simulations of a Stockmayer fluid in a slit micropore

J. H. Cushman, D. J. Diestler, K. Han, 1993 .

Frictional Anisotropy and the Role of Lattice Relaxation in Molecular Tribology of Crystalline Interfaces

E. Rajasekaran, D. J. Diestler, X. Zeng, 1997 .

Computation of the electronic flux density in the Born-Oppenheimer approximation.

A. Kenfack, D. J. Diestler, J. F. Pérez-Torres, 2013, The journal of physical chemistry. A.

On the calculation of classical time-correlation functions: Diagonalization of the ``liouville matrix''

J. Allen, D. J. Diestler, 1982 .

Bounds on time-correlation functions via the infinite-order maclaurin expansion

J. Allen, D. J. Diestler, 1981 .

Phase behaviour of fluids confined between chemically decorated substrates

H. Bock, M. Schoen, D. J. Diestler, 2001 .

Numerical Solution of the S‐Limit Schrödinger Equation

V. McKoy, D. J. Diestler, N. Winter, 1968 .

Hybrid atomistic-coarse-grained treatment of multiscale processes in heterogeneous materials: a self-consistent-field approach.

D. J. Diestler, H. Zhou, Xiao Cheng Zeng, 2006, The Journal of chemical physics.

Entropy and Energy Profiles of Chemical Reactions.

D. J. Diestler, Rafael G'omez-Bombarelli, Johannes C. B. Dietschreit, 2023, Journal of chemical theory and computation.

Models for Self‐Avoiding Polymer Chains on the Tetrahedral Lattice

E. Knapp, D. J. Diestler, Johannes C. B. Dietschreit, 2014 .

Why are effective potentials 'soft'?

Sabine H. L. Klapp, Martin Schoen, S. Klapp, 2004 .

Nonlinear effects of physisorption on static friction

G. Gao, D. J. Diestler, X. Zeng, 2000 .

Role of hysteresis in the molecular picture of friction

G. Gao, D. J. Diestler, X. Zeng, 2001 .