Thom H. Dunning

发表

Transforming Chemistry Education through Computational Science

Eric Jakobsson, Shawn C. Sendlinger, Edee Norman Wiziecki, 2008, Computing in Science & Engineering.

Science and Engineering on Petascale Computers

Thom H. Dunning, 2009, Computing in Science & Engineering.

The International Exascale Software Project roadmap

John Shalf, Franck Cappello, Hiroshi Nakashima, 2011, Int. J. High Perform. Comput. Appl..

The pathway to petascale science

Francine Berman, John R. Boisseau, Thom H. Dunning, 2006, SC.

Visualization and Analysis of GPU Summer School Applicants and Participants

Loretta Auvil, Wen-mei W. Hwu, Elaine Wah, 2008, 2008 IEEE Fourth International Conference on eScience.

Molecular Science Computing: 2010 Greenbook

Thom H. Dunning, Erich R. Vorpagel, David E. Cowley, 2010 .

Science and Engineering in the Petascale Era

Jeremiah P. Ostriker, Klaus Schulten, Jeroen Tromp, 2009, Computing in Science & Engineering.

Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra

Sotiris S. Xantheas, Thom H. Dunning, T. Dunning, 1993 .

Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon

Angela K. Wilson, Tanja van Mourik, Thom H. Dunning, 1996 .

Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited

Angela K. Wilson, Kirk A. Peterson, Thom H. Dunning, 2001 .

The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets

Angela K. Wilson, Tanja van Mourik, Kirk A. Peterson, 1998 .

Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 2002 .

Gaussian basis sets for use in correlated molecular calculations. VIII. Standard and augmented sextuple zeta correlation consistent basis sets for aluminum through argon

Tanja van Mourik, Thom H. Dunning, T. Dunning, 2000 .

Benchmark calculations with correlated molecular wave functions. X. Comparison with

Angela K. Wilson, Thom H. Dunning, T. Dunning, 1997 .

The blue waters super-system for super-science

William Gropp, William Gropp, Hwu Wen-Mei, 2013 .

Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

Angela K. Wilson, Kirk A. Peterson, Thom H. Dunning, 2011 .

A Systematic Study of the Reactions of OH- with Chlorinated Methanes. 1. Benchmark Studies of the Gas-Phase Reactions

Bruce C. Garrett, Steven L. Mielke, Thom H. Dunning, 2001 .

Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H+H2→H2+H reaction

Kirk A. Peterson, Thom H. Dunning, David E. Woon, 1994 .

BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE FUNCTIONS. III: CONFIGURATION INTERACTION CALCULATIONS ON FIRST ROW HOMONUCLEAR DIATOMICS

Rick A. Kendall, Kirk A. Peterson, Thom H. Dunning, 1993 .

Computational Chemistry in the Environmental Molecular Sciences Laboratory

Donald R. Jones, Robert J. Harrison, Karen Schuchardt, 1999 .

The CO molecule: the role of basis set and correlation treatment in the calculation of molecular properties

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 1997 .

Intrinsic Errors in Several ab Initio Methods: The Dissociation Energy of N2

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 1995 .

A theoretical study of the potential energy surface for OH+H2

Thom H. Dunning, T. Dunning, S. Walch, 1980 .

BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE FUNCTIONS. VII: BINDING ENERGY AND STRUCTURE OF THE HF DIMER

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 1995 .

Approximating the basis set dependence of coupled cluster calculations: Evaluation of perturbation theory approximations for stable molecules

Kirk A. Peterson, Thom H. Dunning, T. Dunning, 2000 .

Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon

Thom H. Dunning, David E. Woon, T. Dunning, 1995 .

Benchmark calculations with correlated molecular wave functions. I: Multireference configuration interaction calculations for the second row diatomic hydrides

Thom H. Dunning, David E. Woon, T. Dunning, 1993 .