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Pablo Garcia-Fernandez

Showing results (1-10 of 13) with videos related to

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Physical Review Letters|July 21, 2011
Class of molecular and solid state systems with correlated magnetic and dielectric bistabilities induced by the pseudo Jahn-Teller effectPablo Garcia-Fernandez, Isaac B Bersuker
The Journal of Physical Chemistry. A|August 2, 2007
Why are some ML2 molecules (M = Ca, Sr, Ba; L = H, F, Cl, Br) bent while others are linear? Implications of the pseudo Jahn-Teller effectPablo Garcia-Fernandez, Isaac B Bersuker, James E Boggs
Physical Review Letters|May 23, 2006
Lost topological (Berry) phase factor in electronic structure calculations. Example: the ozone moleculePablo Garcia-Fernandez, Isaac B Bersuker, James E Boggs
The Journal of Chemical Physics|February 8, 2006
Pseudo-Jahn-Teller origin of geometry and pseudorotations in second row tetra-atomic clusters X4 (X=Na, Mg, Al, Si, P, S)Pablo Garcia-Fernandez, Isaac B Bersuker, James E Boggs
The Journal of Chemical Physics|March 3, 2007
Ab initio simulation of the vibrationally resolved photoelectron spectrum of Si3-Pablo Garcia-Fernandez, James E Boggs, John F Stanton
Physical Chemistry Chemical Physics : PCCP|January 18, 2011
Pseudo Jahn-Teller origin of cis-trans and other conformational changes. The role of double bondsPablo Garcia-Fernandez, Yang Liu, Isaac B Bersuker, et al.
The Journal of Physical Chemistry. A|June 27, 2012
Pseudo Jahn-Teller origin of nonplanarity and rectangular-ring structure of tetrafluorocyclobutadieneYang Liu, Isaac B Bersuker, Pablo Garcia-Fernandez, et al.
Physical Chemistry Chemical Physics : PCCP|November 21, 2020
Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+<i>U</i> model on nickel coordination compoundsStepan Stepanovic, Rui Lai, Marcus Elstner, et al.
The Journal of Physical Chemistry. A|February 1, 2008
Ab initio and experimental studies of the large-amplitude motion in BF2OHLaurent H Coudert, Pablo Garcia-Fernandez, Heinrich Mäder, et al.
Journal of Computational Chemistry|October 10, 2018
Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 modelMilena Vujović, Mioy Huynh, Sebastian Steiner, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
Physical Review Letters|July 21, 2011
Class of molecular and solid state systems with correlated magnetic and dielectric bistabilities induced by the pseudo Jahn-Teller effectPablo Garcia-Fernandez, Isaac B Bersuker
The Journal of Physical Chemistry. A|August 2, 2007
Why are some ML2 molecules (M = Ca, Sr, Ba; L = H, F, Cl, Br) bent while others are linear? Implications of the pseudo Jahn-Teller effectPablo Garcia-Fernandez, Isaac B Bersuker, James E Boggs
Physical Review Letters|May 23, 2006
Lost topological (Berry) phase factor in electronic structure calculations. Example: the ozone moleculePablo Garcia-Fernandez, Isaac B Bersuker, James E Boggs
The Journal of Chemical Physics|February 8, 2006
Pseudo-Jahn-Teller origin of geometry and pseudorotations in second row tetra-atomic clusters X4 (X=Na, Mg, Al, Si, P, S)Pablo Garcia-Fernandez, Isaac B Bersuker, James E Boggs
The Journal of Chemical Physics|March 3, 2007
Ab initio simulation of the vibrationally resolved photoelectron spectrum of Si3-Pablo Garcia-Fernandez, James E Boggs, John F Stanton
Physical Chemistry Chemical Physics : PCCP|January 18, 2011
Pseudo Jahn-Teller origin of cis-trans and other conformational changes. The role of double bondsPablo Garcia-Fernandez, Yang Liu, Isaac B Bersuker, et al.
The Journal of Physical Chemistry. A|June 27, 2012
Pseudo Jahn-Teller origin of nonplanarity and rectangular-ring structure of tetrafluorocyclobutadieneYang Liu, Isaac B Bersuker, Pablo Garcia-Fernandez, et al.
Physical Chemistry Chemical Physics : PCCP|November 21, 2020
Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+<i>U</i> model on nickel coordination compoundsStepan Stepanovic, Rui Lai, Marcus Elstner, et al.
The Journal of Physical Chemistry. A|February 1, 2008
Ab initio and experimental studies of the large-amplitude motion in BF2OHLaurent H Coudert, Pablo Garcia-Fernandez, Heinrich Mäder, et al.
Journal of Computational Chemistry|October 10, 2018
Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 modelMilena Vujović, Mioy Huynh, Sebastian Steiner, et al.
Pageof 2