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The Journal of Chemical Physics
|
July 7, 2007
Extrapolating to the one-electron basis-set limit in electronic structure calculations
A J C Varandas
The Journal of Physical Chemistry. A
|
December 5, 2009
Extrapolation to the complete basis set limit without counterpoise. The pair potential of helium revisited
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
July 11, 2014
Is HO3(-) multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2011
Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path
A J C Varandas
The Journal of Chemical Physics
|
February 15, 2013
Combined-hyperbolic-inverse-power-representation of potential energy surfaces: a preliminary assessment for H3 and HO2
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
August 17, 2018
CBS extrapolation in electronic structure pushed to the end: a revival of minimal and sub-minimal basis sets
A J C Varandas
The Journal of Chemical Physics
|
December 24, 2008
Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X 1Sigma(g)+, B 1Delta(g), and B' 1Sigma(g)+ states of C2
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
March 28, 2022
From six to eight Π-electron bare rings of group-XIV elements and beyond: can planarity be deciphered from the "quasi-molecules" they embed?
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
Post-complete-basis-set extrapolation of conventional and explicitly correlated coupled-cluster energies: can the convergence to the CBS limit be diagnosed?
A J C Varandas
The Journal of Chemical Physics
|
August 17, 2010
Spin-component-scaling second-order Møller-Plesset theory and its variants for economical correlation energies: unified theoretical interpretation and use for quartet N3
A J C Varandas
Page
of 10
Search research articles
Search
Showing results (1-10 of 94) with videos related to
Sort By:
Page
of 10
The Journal of Chemical Physics
|
July 7, 2007
Extrapolating to the one-electron basis-set limit in electronic structure calculations
A J C Varandas
The Journal of Physical Chemistry. A
|
December 5, 2009
Extrapolation to the complete basis set limit without counterpoise. The pair potential of helium revisited
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
July 11, 2014
Is HO3(-) multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2011
Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path
A J C Varandas
The Journal of Chemical Physics
|
February 15, 2013
Combined-hyperbolic-inverse-power-representation of potential energy surfaces: a preliminary assessment for H3 and HO2
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
August 17, 2018
CBS extrapolation in electronic structure pushed to the end: a revival of minimal and sub-minimal basis sets
A J C Varandas
The Journal of Chemical Physics
|
December 24, 2008
Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X 1Sigma(g)+, B 1Delta(g), and B' 1Sigma(g)+ states of C2
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
March 28, 2022
From six to eight Π-electron bare rings of group-XIV elements and beyond: can planarity be deciphered from the "quasi-molecules" they embed?
A J C Varandas
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
Post-complete-basis-set extrapolation of conventional and explicitly correlated coupled-cluster energies: can the convergence to the CBS limit be diagnosed?
A J C Varandas
The Journal of Chemical Physics
|
August 17, 2010
Spin-component-scaling second-order Møller-Plesset theory and its variants for economical correlation energies: unified theoretical interpretation and use for quartet N3
A J C Varandas
Page
of 10