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The Journal of Physical Chemistry. A
|
February 21, 2018
Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?
David Feller, David A Dixon
The Journal of Physical Chemistry. A
|
October 13, 2007
Low-lying electronic states of M(3)O(9)(-) and M(3)O(9)(2-) (M = Mo, W)
Shenggang Li, David A Dixon
The Journal of Physical Chemistry. A
|
April 3, 2013
Computational study of H2 and O2 production from water splitting by small (MO2)n clusters (M = Ti, Zr, Hf)
Zongtang Fang, David A Dixon
The Journal of Physical Chemistry. A
|
October 26, 2007
Benchmark calculations on the electron detachment energies of MO3* and M2O6* (M = Cr, Mo, W)
Shenggang Li, David A Dixon
The Journal of Physical Chemistry. A
|
July 1, 2024
Prediction of the p<i>K</i><sub>a</sub>'s of Hydrated Metal Carbonates and Bicarbonates for Mg, Ca, Mn, Fe, Co, Ni, Cu, and Zn Dications
Amanda Loudermilk, David A Dixon
The Journal of Physical Chemistry. A
|
July 13, 2006
Thermodynamic properties of molecular borane amines and the [BH4-][NH4+] salt for chemical hydrogen storage systems from ab initio electronic structure theory
David A Dixon, Maciej Gutowski
Journal of Chemical Theory and Computation
|
November 20, 2015
Tree Growth-Hybrid Genetic Algorithm for Predicting the Structure of Small (TiO2)n, n = 2-13, Nanoclusters
Mingyang Chen, David A Dixon
The Journal of Physical Chemistry. A
|
May 12, 2006
Molecular and electronic structures, Brönsted basicities, and Lewis acidities of group VIB transition metal oxide clusters
Shenggang Li, David A Dixon
The Journal of Physical Chemistry. A
|
April 4, 2013
Low-lying electronic states of Ir(n) clusters with n = 2-8 predicted at the DFT, CASSCF, and CCSD(T) levels
Mingyang Chen, David A Dixon
The Journal of Physical Chemistry. A
|
June 27, 2008
Molecular structures and energetics of the (TiO2)n (n = 1-4) clusters and their anions
Shenggang Li, David A Dixon
Page
of 35
Search research articles
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Showing results (1-10 of 341) with videos related to
Sort By:
Page
of 35
The Journal of Physical Chemistry. A
|
February 21, 2018
Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?
David Feller, David A Dixon
The Journal of Physical Chemistry. A
|
October 13, 2007
Low-lying electronic states of M(3)O(9)(-) and M(3)O(9)(2-) (M = Mo, W)
Shenggang Li, David A Dixon
The Journal of Physical Chemistry. A
|
April 3, 2013
Computational study of H2 and O2 production from water splitting by small (MO2)n clusters (M = Ti, Zr, Hf)
Zongtang Fang, David A Dixon
The Journal of Physical Chemistry. A
|
October 26, 2007
Benchmark calculations on the electron detachment energies of MO3* and M2O6* (M = Cr, Mo, W)
Shenggang Li, David A Dixon
The Journal of Physical Chemistry. A
|
July 1, 2024
Prediction of the p<i>K</i><sub>a</sub>'s of Hydrated Metal Carbonates and Bicarbonates for Mg, Ca, Mn, Fe, Co, Ni, Cu, and Zn Dications
Amanda Loudermilk, David A Dixon
The Journal of Physical Chemistry. A
|
July 13, 2006
Thermodynamic properties of molecular borane amines and the [BH4-][NH4+] salt for chemical hydrogen storage systems from ab initio electronic structure theory
David A Dixon, Maciej Gutowski
Journal of Chemical Theory and Computation
|
November 20, 2015
Tree Growth-Hybrid Genetic Algorithm for Predicting the Structure of Small (TiO2)n, n = 2-13, Nanoclusters
Mingyang Chen, David A Dixon
The Journal of Physical Chemistry. A
|
May 12, 2006
Molecular and electronic structures, Brönsted basicities, and Lewis acidities of group VIB transition metal oxide clusters
Shenggang Li, David A Dixon
The Journal of Physical Chemistry. A
|
April 4, 2013
Low-lying electronic states of Ir(n) clusters with n = 2-8 predicted at the DFT, CASSCF, and CCSD(T) levels
Mingyang Chen, David A Dixon
The Journal of Physical Chemistry. A
|
June 27, 2008
Molecular structures and energetics of the (TiO2)n (n = 1-4) clusters and their anions
Shenggang Li, David A Dixon
Page
of 35