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The Journal of Chemical Physics
|
May 17, 2014
An efficient extrapolation to the (T)/CBS limit
Duminda S Ranasinghe, Ericka C Barnes
The Journal of Chemical Physics
|
July 2, 2014
CCSD(T)/CBS atomic and molecular benchmarks for H through Ar
Duminda S Ranasinghe, George A Petersson
The Journal of Chemical Physics
|
December 3, 2017
A note on the accuracy of KS-DFT densities
Duminda S Ranasinghe, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
December 10, 2015
Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar
Duminda S Ranasinghe, Michael J Frisch, George A Petersson
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2017
Automatic generation of reaction energy databases from highly accurate atomization energy benchmark sets
Johannes T Margraf, Duminda S Ranasinghe, Rodney J Bartlett
The Journal of Chemical Physics
|
December 10, 2015
A density functional for core-valence correlation energy
Duminda S Ranasinghe, Michael J Frisch, George A Petersson
The Journal of Chemical Physics
|
February 24, 2019
Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionals
Duminda S Ranasinghe, Johannes T Margraf, Ajith Perera, et al.
The Journal of Chemical Physics
|
January 23, 2017
Does the ionization potential condition employed in QTP functionals mitigate the self-interaction error?
Duminda S Ranasinghe, Johannes T Margraf, Yifan Jin, et al.
The Journal of Physical Chemistry. A
|
May 17, 2013
Evaluation of the heats of formation of corannulene and C60 by means of inexpensive theoretical procedures
Frank J Dobek, Duminda S Ranasinghe, Kyle Throssell, et al.
The Journal of Physical Chemistry. A
|
April 3, 2018
Vibrational Characterization of Radical Ion Adducts between Imidazole and CO<sub>2</sub>
Stephanie M Craig, Christopher J Johnson, Duminda S Ranasinghe, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
May 17, 2014
An efficient extrapolation to the (T)/CBS limit
Duminda S Ranasinghe, Ericka C Barnes
The Journal of Chemical Physics
|
July 2, 2014
CCSD(T)/CBS atomic and molecular benchmarks for H through Ar
Duminda S Ranasinghe, George A Petersson
The Journal of Chemical Physics
|
December 3, 2017
A note on the accuracy of KS-DFT densities
Duminda S Ranasinghe, Ajith Perera, Rodney J Bartlett
The Journal of Chemical Physics
|
December 10, 2015
Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar
Duminda S Ranasinghe, Michael J Frisch, George A Petersson
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2017
Automatic generation of reaction energy databases from highly accurate atomization energy benchmark sets
Johannes T Margraf, Duminda S Ranasinghe, Rodney J Bartlett
The Journal of Chemical Physics
|
December 10, 2015
A density functional for core-valence correlation energy
Duminda S Ranasinghe, Michael J Frisch, George A Petersson
The Journal of Chemical Physics
|
February 24, 2019
Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionals
Duminda S Ranasinghe, Johannes T Margraf, Ajith Perera, et al.
The Journal of Chemical Physics
|
January 23, 2017
Does the ionization potential condition employed in QTP functionals mitigate the self-interaction error?
Duminda S Ranasinghe, Johannes T Margraf, Yifan Jin, et al.
The Journal of Physical Chemistry. A
|
May 17, 2013
Evaluation of the heats of formation of corannulene and C60 by means of inexpensive theoretical procedures
Frank J Dobek, Duminda S Ranasinghe, Kyle Throssell, et al.
The Journal of Physical Chemistry. A
|
April 3, 2018
Vibrational Characterization of Radical Ion Adducts between Imidazole and CO<sub>2</sub>
Stephanie M Craig, Christopher J Johnson, Duminda S Ranasinghe, et al.
Page
of 2