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Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
March 28, 2020
Excitation of hydrated Li<sup>+</sup> and Na<sup>+</sup> to their dissociative states: The effect of hydrogen bond on the dissociation of LiO and NaO bonds and the comparison of the TD-DFT and SAC-CI excited dissociative states
Hossein Farrokhpour, Samaneh Khoshkhou
Journal of Molecular Modeling
|
May 28, 2013
DFT and MP2 study of low barrier proton transfer in hydrazide schiff base tautomers via water bridges and in the gas
Hossein Tavakol, Hossein Farrokhpour
Dalton Transactions (Cambridge, England : 2003)
|
February 23, 2013
Acidity constants of some sulfur oxoacids in aqueous solution using CCSD and MP2 methods
Mostafa Abedi, Hossein Farrokhpour
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
January 24, 2024
Intermolecular hydrogen bonding in DNA base pairs interacting with different numbers of bare and hydrated Li<sup>+</sup>: NBO, QTAIM, and computational spectroscopic studies
Hossein Farrokhpour, Nikoo Mokhtari
The Journal of Physical Chemistry. A
|
November 18, 2014
A simple method for estimating the absolute solvation free energy of monovalent ions in different solvents
Hossein Farrokhpour, Mohammad Manassir
The Journal of Physical Chemistry. A
|
March 14, 2025
Comprehensive DFTB Parametrization and Its Utilization as a Preoptimizer for Investigating Au-Nanostructures + H<sub>2</sub>O Systems
Paria Fallahi, Hossein Farrokhpour
The Journal of Physical Chemistry. B
|
May 11, 2013
Photoelectron spectra of some important biological molecules: symmetry-adapted-cluster configuration interaction study
Hossein Farrokhpour, Maryam Ghandehari
Journal of Chemical Information and Modeling
|
August 29, 2025
Exhaustive DFTB Parameterization and Its Implementation for the Exploration of Ag Nanostructures + H<sub>2</sub>O Complexes
Paria Fallahi, Hossein Farrokhpour
Journal of Computational Chemistry
|
May 21, 2011
Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodology
Hossein Farrokhpour, Fariman Fathi
Journal of Photochemistry and Photobiology. B, Biology
|
April 20, 2016
Ionization of vitamin C in gas phase: Theoretical study
Fatemeh Abyar, Hossein Farrokhpour
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Showing results (1-10 of 75) with videos related to
Sort By:
Page
of 8
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
March 28, 2020
Excitation of hydrated Li<sup>+</sup> and Na<sup>+</sup> to their dissociative states: The effect of hydrogen bond on the dissociation of LiO and NaO bonds and the comparison of the TD-DFT and SAC-CI excited dissociative states
Hossein Farrokhpour, Samaneh Khoshkhou
Journal of Molecular Modeling
|
May 28, 2013
DFT and MP2 study of low barrier proton transfer in hydrazide schiff base tautomers via water bridges and in the gas
Hossein Tavakol, Hossein Farrokhpour
Dalton Transactions (Cambridge, England : 2003)
|
February 23, 2013
Acidity constants of some sulfur oxoacids in aqueous solution using CCSD and MP2 methods
Mostafa Abedi, Hossein Farrokhpour
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
January 24, 2024
Intermolecular hydrogen bonding in DNA base pairs interacting with different numbers of bare and hydrated Li<sup>+</sup>: NBO, QTAIM, and computational spectroscopic studies
Hossein Farrokhpour, Nikoo Mokhtari
The Journal of Physical Chemistry. A
|
November 18, 2014
A simple method for estimating the absolute solvation free energy of monovalent ions in different solvents
Hossein Farrokhpour, Mohammad Manassir
The Journal of Physical Chemistry. A
|
March 14, 2025
Comprehensive DFTB Parametrization and Its Utilization as a Preoptimizer for Investigating Au-Nanostructures + H<sub>2</sub>O Systems
Paria Fallahi, Hossein Farrokhpour
The Journal of Physical Chemistry. B
|
May 11, 2013
Photoelectron spectra of some important biological molecules: symmetry-adapted-cluster configuration interaction study
Hossein Farrokhpour, Maryam Ghandehari
Journal of Chemical Information and Modeling
|
August 29, 2025
Exhaustive DFTB Parameterization and Its Implementation for the Exploration of Ag Nanostructures + H<sub>2</sub>O Complexes
Paria Fallahi, Hossein Farrokhpour
Journal of Computational Chemistry
|
May 21, 2011
Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodology
Hossein Farrokhpour, Fariman Fathi
Journal of Photochemistry and Photobiology. B, Biology
|
April 20, 2016
Ionization of vitamin C in gas phase: Theoretical study
Fatemeh Abyar, Hossein Farrokhpour
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of 8