A. Wagner

Gregor von Laszewski, James D. Myers, Karen Schuchardt, 2004, Proceedings of the Second International Workshop on Challenges of Large Applications in Distributed Environments, 2004. CLADE 2004..

Effect of the potential well on vibrational scattering and the validity of SSH theory

V. McKoy, A. Wagner, 1973 .

Comment on Enhancement of the Reaction Cross Section of He+H2+→ HeH++H by Vibrational Excitation of H2+ and the Treatment of Nuclear Spin by the Statistical Phase‐Space Theory

D. Truhlar, A. Wagner, 1972 .

Collision‐induced ion pair formation of thallium halides: Threshold behavior

E. K. Parks, A. Wagner, S. Wexler, 1973 .

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 .

Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces.

R. Dawes, A. Wagner, D. Thompson, 2009, The journal of physical chemistry. A.

Hyperthermal K–TeF6 molecular beam scattering

C. E. Young, A. Wagner, L. G. Pobo, 1982 .

Roaming radicals in the thermal decomposition of dimethyl ether:Experiment and theory

Joe V. Michael, Lawrence B. Harding, Stephen J. Klippenstein, 2011 .

Hyperthermal molecular beam scattering: K–O2 ion/neutral product angular, energy, and branching ratio analysis

C. E. Young, A. Wagner, L. G. Pobo, 1981 .

Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction.

Donald L Thompson, Yin Guo, Albert F Wagner, 2007, The Journal of chemical physics.

Calculated long‐range interactions and low energy scattering in He+H, Ne+H, Ar+H, Kr+H, and Xe+H

A. C. Wahl, A. Wagner, G. Das, 1978 .

Calculated long‐range interactions and low energy scattering of Ar–H

A. C. Wahl, A. Wagner, G. Das, 1974 .

Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited†

Kaizar Amin, Branko Ruscic, Sandra Bittner, 2004 .

Rate constants for the reactions O + C2H2 and O + C2D2 .fwdarw. products, over the temperature range .apprx.850-1950 K, by the flash photolysis-shock tube technique. Determination of the branching ratio and a further theoretical analysis

A. Wagner, J. Michael, 1990 .

An Ab Initio Theoretical Study of the CH + H2 ⇌ Ch3 * ⇌ Ch2 + H Reactions

Albert F. Wagner, Mutsumi Aoyagi, Ron L. Shepard, 1991, Int. J. High Perform. Comput. Appl..

Theoretical studies on the reaction of atomic oxygen (O(3P)) with acetylene. II

A. Wagner, L. B. Harding, 1981 .

Isotope Effects in Addition Reactions of Importance in Combustion: Theoretical Studies of the Reactions CH + H2⇄ CH3* ⇄ CH2+ H

A. Wagner, L. B. Harding, 1992 .

Rate Constants For H + O2 + M → HO2 + M in Seven Bath Gases

A. Wagner, J. Carroll, M. Su, 2002 .

The formaldehyde decomposition chain mechanism

A. Wagner, J. Kiefer, L. B. Harding, 1993 .

Pressure Effects on the Relaxation of an Excited Ethane Molecule in High-Pressure Bath Gases.

A. Wagner, L. Rivera-Rivera, Zackary R. Hren, 2021, The journal of physical chemistry. A.

Mode‐specific pressure effects on the relaxation of an excited nitromethane molecule in an argon bath

A. Wagner, L. Rivera-Rivera, 2020 .

Theoretical Studies of the Energetics and Dynamics of Chemical Reactions

G. Schatz, J. Bowman, A. Wagner, 1988, Science.

Initiation in H2/O2: Rate constants for H2+O2→H+HO2 at high temperature

Joe V. Michael, Lawrence B. Harding, Albert F. Wagner, 2000 .

Study of the recombination reaction methyl + methyl .fwdarw. ethane. 2. Theory

David M. Wardlaw, Albert F. Wagner, A. Wagner, 1988 .

Theoretical studies of He(1S)+CH(X 2Π). II. Fully ab initio cross sections for the inelastic scattering and comparison with experiment

A. Wagner, M. Alexander, W. Kearney, 1994 .

Importance of hindered rotations in the thermal dissociation of small unsaturated molecules: Classical formulation and application to HCN and HCCH

A. Wagner, J. Kiefer, L. B. Harding, 1996 .

Behavior of Cs+‐UF−6 ion‐pair plasmas in radiofrequency quadrupole‐dipole fields. II. Theory

A. Wagner, 1983 .

The Chemical Dynamics and Kinetics of Small Radicals: Part 1

Kopin Liu, A. Wagner, Kopin Liu, 1996 .

Theoretical studies of the reactivity and spectroscopy of H+CO=HCO. I. Stabilization and scattering studies of resonances for J=0 on the Harding ab initio surface

J. Bowman, A. Wagner, Seon‐Woog Cho, 1992 .

Isolated resonance decomposition of a multichannel S matrix: A test from the scattering of H + CO+HCO

J. Bowman, A. Wagner, Seon‐Woog Cho, 1992 .

Theoretical stabilization and scattering studies of resonances in the addition reaction H+CO = HCO

J. Bowman, A. Wagner, Seon‐Woog Cho, 1991 .

Variational transition state theory and tunneling for a heavy–light–heavy reaction using an ab initio potential energy surface. 37Cl+H(D) 35Cl→H(D) 37Cl+35Cl

B. C. Garrett, D. Truhlar, A. Wagner, 1983 .

Experimental and theoretical studies of the ethyl + oxygen reaction kinetics

A. Wagner, D. Gutman, I. R. Slagle, 1990 .

Rate Constants for D + C2H2→ C2HD + H at High Temperature: Implications to the High Pressure Rate Constant for H + C2H2→ C2H3†

A. Wagner, L. B. Harding, M. Su, 2003 .

Ab initio calculation of the transition-state properties and addition rate constants for H + C/sub 2/H/sub 2/ and selected isotopic analogues

Lawrence B. Harding, George C. Schatz, Joel M. Bowman, 1982 .

A classical trajectory study of the dissociation and isomerization of C2H5.

A. Wagner, D. Thompson, L. Rivera-Rivera, 2013, The journal of physical chemistry. A.

Theoretical studies of fine-structure effects and long-range forces: approximating the reactive surface of O(3P)+OH(2Π)

A. Wagner, M. M. Graff, 1990 .

The chemical dynamics and kinetics of small radicals

Kopin Liu, A. Wagner, Kopin Liu, 1995 .

Theoretical studies of He(1S)+CH(X 2Π). I. Ab initio potential energy surfaces

T. Dunning, R. Kok, A. Wagner, 1994 .

Theoretical Studies of Selected Reactions in the Hydrogen-Oxygen System

A. Wagner, T. Dunning, S. Walch, 1981 .

Interpolating moving least-squares methods for fitting potential energy surfaces: a strategy for efficient automatic data point placement in high dimensions.

Richard Dawes, Donald L Thompson, Albert F Wagner, 2008, The Journal of chemical physics.

Global Sensitivity Analysis of a Gasoline Compression Ignition Engine Simulation with Multiple Targets on an IBM Blue Gene/Q Supercomputer

Kevin Harms, P. K. Senecal, Yuanjiang Pei, 2016 .

Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory.

D. Dixon, E. Aprá, A. Wagner, 2016, Journal of chemical theory and computation.

Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points.

Richard Dawes, Donald L Thompson, Yin Guo, 2007, The Journal of chemical physics.

Shift‐and‐invert parallel spectral transformation eigensolver: Massively parallel performance for density‐functional based tight‐binding

Hong Zhang, Albert F. Wagner, David A. Dixon, 2016, J. Comput. Chem..

The subspace projected approximate matrix (SPAM) modification of the Davidson method

Jeffrey L. Tilson, Ron Shepard, Michael Minkoff, 2001 .

Rate Constants, 1100 ≤ T ≤ 2000 K, for H + NO2 → OH + NO Using Two Shock Tube Techniques: Comparison of Theory to Experiment†

K. P. Lim, A. Wagner, S. S. Kumaran, 2002 .

Thermodynamic functions for the cyclopentadienyl radical: The effect of Jahn–Teller distortion

Hai Wang, A. Wagner, J. Kiefer, 2001 .

A Collaborative Informatics Infrastructure for Multi-Scale Science

Gregor von Laszewski, James D. Myers, Karen Schuchardt, 2004, Proceedings of the Second International Workshop on Challenges of Large Applications in Distributed Environments, 2004. CLADE 2004..

A comparative study of the reaction dynamics of several potential energy surfaces for O(3P)+H2 → OH+H. II. Collinear exact quantum and quasiclassical reaction probabilities

G. Schatz, J. Bowman, A. Wagner, 1982 .

Active Thermochemical Tables: thermochemistry for the 21st century

Gregor von Laszewski, Deepti Kodeboyina, Albert F. Wagner, 2005 .

High-Performance Computational Chemistry: Hartree-Fock Electronic Structure Calculations on Massively Parallel Processors

Robert J. Harrison, Michael Minkoff, Albert F. Wagner, 1999, Int. J. High Perform. Comput. Appl..

Toward high‐performance computational chemistry: I. Scalable Fock matrix construction algorithms

Robert J. Harrison, Ian Foster, Albert F. Wagner, 1996 .

A classical statistical theory for chemical reactions

E. K. Parks, A. Wagner, 1976 .

Pressure effects on the vibrational and rotational relaxation of vibrationally excited OH (ν, J) in an argon bath.

A. Wagner, R. Chitsazi, 2019, The Journal of chemical physics.