E-LIB Suche - Ergebnisse für: Dunning, Thom

1

Computational Materials, Chemistry, and Biochemistry: From ..

Springer Series in Materials Science, 284

Shankar, Sadasivan ; Muller, Richard ; Dunning, Thom. - 1st ed. 2021 . , 2021

2

Exascale applications: skin in the game:

Alexander, Francis ; Almgren, Ann ; Bell, John...
Philosophical Transactions: Mathematical, Physical and Engineering Sciences. 378 (2020) 2166 - p. 1-31 , 2020

Link: https://www.jstor.org/st..

3

The International Exascale Software Project roadmap:

Dongarra, Jack ; Beckman, Pete ; Moore, Terry...
The International Journal of High Performance Computing Applications. 25 (2011) 1 - p. 3-60 , 2011

Link: https://doi.org/10.1177/..

4

The pathway to petascale science:

, In: Proceedings of the 2006 ACM/IEEE conference on Supercomputing,

Dunning, Thom ; Berman, Francine ; Boisseau, John R. - p. 15-es , 2006

Link: https://dl.acm.org/doi/1..

5

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/..

6

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/..

7

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/..

8

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/..

9

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/..

10

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/..

11

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/..

12

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/..

13

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/..

14

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/..

15

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/..