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X
Dunning, Thom H.
802  Ergebnisse:
Personensuche X
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1

Beyond Molecular Orbital Theory: The Impact of Generalized ..:

, In: Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; Springer Series in Materials Science,
Dunning, Thom H. ; Jeffrey Hay, P. - p. 55-87 , 2021
Link: https://doi.org/10.1007/..
 
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2

Bonding in FSSF3: Breakdown in Bond Length-Strength Correla..:

Lindquist, Beth A. ; Dunning, Thom H.
The Journal of Physical Chemistry Letters.  4 (2013)  18 - p. 3139-3143 , 2013
Link: https://doi.org/10.1021/..
 
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3

Science and Engineering on Petascale Computers:

Dunning, Thom H.
Computing in Science & Engineering.  11 (2009)  5 - p. 7-9 , 2009
Link: https://doi.org/10.1109/..
 
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4

Science and Engineering in the Petascale Era:

Dunning, Thom H. ; Schulten, Klaus ; Tromp, Jeroen...
Computing in Science & Engineering.  11 (2009)  5 - p. 28-37 , 2009
Link: https://doi.org/10.1109/..
 
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5

Transforming Chemistry Education through Computational Scie..:

Sendlinger, Shawn C. ; DeCoste, Don J. ; Dunning, Thom H....
Computing in Science & Engineering.  10 (2008)  5 - p. 34-39 , 2008
Link: https://doi.org/10.1109/..
 
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6

Electron Affinity of NO:

Arrington, Charles A. ; Dunning, Thom H. ; Woon, David E.
The Journal of Physical Chemistry A.  111 (2007)  44 - p. 11185-11188 , 2007
Link: https://doi.org/10.1021/..
 
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7

The HSO−SOH Isomers Revisited:  The Effect of Tight d Funct..:

Wilson, Angela K. ; Dunning, Thom H.
The Journal of Physical Chemistry A.  108 (2004)  15 - p. 3129-3133 , 2004
Link: https://doi.org/10.1021/..
 
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8

A Systematic Study of the Reactions of OH-with Chlorinated ..:

Borisov, Yurii A. ; Arcia, Edgar E. ; Mielke, Steven L...
The Journal of Physical Chemistry A.  105 (2001)  32 - p. 7724-7736 , 2001
Link: https://doi.org/10.1021/..
 
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9

Gaussian basis sets for use in correlated molecular calcula..:

Van Mourik, Tanja ; Dunning, Thom H.
International Journal of Quantum Chemistry.  76 (2000)  2 - p. 205-221 , 2000
Link: https://doi.org/10.1002/..
 
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10

A Road Map for the Calculation of Molecular Binding Energie:

Dunning, Thom H.
The Journal of Physical Chemistry A.  104 (2000)  40 - p. 9062-9080 , 2000
Link: https://doi.org/10.1021/..
 
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11

Ab Initio Characterization of the HCOx (x = −1, 0, +1) Spec..:

van Mourik, Tanja ; Dunning, Thom H. ; Peterson, Kirk A.
The Journal of Physical Chemistry A.  104 (1999)  11 - p. 2287-2293 , 1999
Link: https://doi.org/10.1021/..
 
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12

Predicting the Proton Affinities of H2O and NH3:

Peterson, Kirk A. ; Xantheas, Sotiris S. ; Dixon, David A..
The Journal of Physical Chemistry A.  102 (1998)  14 - p. 2449-2454 , 1998
Link: https://doi.org/10.1021/..
 
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13

Benchmark Calculations with Correlated Molecular Wave Funct..:

Peterson, Kirk A. ; Dunning, Thom H.
The Journal of Physical Chemistry A.  101 (1997)  35 - p. 6280-6292 , 1997
Link: https://doi.org/10.1021/..
 
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14

Theoretical Studies of the Energetics and Dynamics of Chemi..:

Dunning, Thom H. ; Harding, Lawrence B. ; Wagner, Albert F...
Science.  240 (1988)  4851 - p. 453-459 , 1988
Link: https://www.jstor.org/st..
 
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15

Erratum: Ab initio and semiempirical calculations of the st..:

Truhlar, Donald G. ; Van-Catledge, F. A. ; Dunning, Thom. H.
The Journal of Chemical Physics.  69 (1978)  6 - p. 2941-2941 , 1978
Link: https://doi.org/10.1063/..
 
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