Lista de obras - Van Tan Tran - Dominio Público Uruguay

A CASPT2 Description of the Electronic Structures of FeO3(-/0) in Relevance to the Anion Photoelectron Spectrum

artículo científico publicado en 2011

A CASSCF/CASPT2 investigation on electron detachments from ScSi n- (n = 4-6) clusters.

artículo científico publicado en 2017

A computational study of pyrazinamide: Tautomerism, acid–base properties, micro-solvation effects and acid hydrolysis mechanism

article

A new interpretation of the photoelectron spectra of CrC2-

artículo científico publicado en 2013

Absorption spectra and photolysis of methyl peroxide in liquid and frozen water.

artículo científico publicado en 2012

Assignment of the photoelectron spectra of FeS3(-) by density functional theory, CASPT2, and RCCSD(T) calculations

scientific article published on 09 November 2011

Computational Investigation of the Geometrical and Electronic Structures of VGen-/0 (n = 1-4) Clusters by Density Functional Theory and Multiconfigurational CASSCF/CASPT2 Method

artículo científico publicado en 2017

Conformational, electronic and antioxidant properties of lucidone, linderone and methyllinderone: DFT, QTAIM and NBO studies

article published in 2014

Description of the geometric and electronic structures responsible for the photoelectron spectrum of FeO4(-)

Electronic structures of NbGen -/0/+ (n = 1-3) clusters from multiconfigurational CASPT2 and density matrix renormalization group-CASPT2 calculations

scientific article published on 16 September 2020

Elucidating the Electronic Structures of the Ground States of the VO2(-/0) Clusters: Synergism between Computation and Experiment.

artículo científico publicado en 2014

Geometric and Electronic Structures of VB40/+ Clusters and Reactivity of the Cationic Cluster with Methane from Quantum Chemical Calculations

artículo científico publicado en 2019

Ground and Low-Lying Excited States of NbC3-/0 Clusters: Assignment of the Anion Photoelectron Spectra from Multiconfigurational Calculations

scientific article published on 17 September 2019

Low-Lying Electronic States of FeGen-/0 (n = 1-3) Clusters Calculated with Multireference Second-Order Perturbation Theory

scientific article published on 28 April 2020

Molecular structures for FeS4(-/0) as determined from an ab initio study of the anion photoelectron spectra

artículo científico publicado en 2013

Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Studies on Mononuclear First-Row Transition-Metal Systems

scientific article published on 09 November 2011

On the Electronic and Geometric Structures of FeO2(-/0) and the Assignment of the Anion Photoelectron Spectrum.

artículo científico publicado en 2012

Spin State Energetics of VGe n -/0 (n = 5-7) Clusters and New Assignments of the Anion Photoelectron Spectra

artículo científico publicado en 2018

Spin-Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations

artículo científico publicado en 2018

The Electronic Structures of CoGe n-/0 ( n = 1-3) Clusters from Multiconfigurational CASSCF/CASPT2 and RASSCF/RASPT2 Calculations

artículo científico publicado en 2018

Lista de obras de Van Tan Tran

A CASPT2 Description of the Electronic Structures of FeO3(-/0) in Relevance to the Anion Photoelectron Spectrum

A CASSCF/CASPT2 investigation on electron detachments from ScSi n- (n = 4-6) clusters.

A computational study of pyrazinamide: Tautomerism, acid–base properties, micro-solvation effects and acid hydrolysis mechanism

A new interpretation of the photoelectron spectra of CrC2-

Absorption spectra and photolysis of methyl peroxide in liquid and frozen water.

Assignment of the photoelectron spectra of FeS3(-) by density functional theory, CASPT2, and RCCSD(T) calculations

Computational Investigation of the Geometrical and Electronic Structures of VGen-/0 (n = 1-4) Clusters by Density Functional Theory and Multiconfigurational CASSCF/CASPT2 Method

Conformational, electronic and antioxidant properties of lucidone, linderone and methyllinderone: DFT, QTAIM and NBO studies

Description of the geometric and electronic structures responsible for the photoelectron spectrum of FeO4(-)

Electronic structures of NbGen -/0/+ (n = 1-3) clusters from multiconfigurational CASPT2 and density matrix renormalization group-CASPT2 calculations

Elucidating the Electronic Structures of the Ground States of the VO2(-/0) Clusters: Synergism between Computation and Experiment.

Geometric and Electronic Structures of VB40/+ Clusters and Reactivity of the Cationic Cluster with Methane from Quantum Chemical Calculations

Ground and Low-Lying Excited States of NbC3-/0 Clusters: Assignment of the Anion Photoelectron Spectra from Multiconfigurational Calculations

Low-Lying Electronic States of FeGen-/0 (n = 1-3) Clusters Calculated with Multireference Second-Order Perturbation Theory

Molecular structures for FeS4(-/0) as determined from an ab initio study of the anion photoelectron spectra

Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Studies on Mononuclear First-Row Transition-Metal Systems

On the Electronic and Geometric Structures of FeO2(-/0) and the Assignment of the Anion Photoelectron Spectrum.

Spin State Energetics of VGe n -/0 (n = 5-7) Clusters and New Assignments of the Anion Photoelectron Spectra

Spin-Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations

The Electronic Structures of CoGe n-/0 ( n = 1-3) Clusters from Multiconfigurational CASSCF/CASPT2 and RASSCF/RASPT2 Calculations