Lista de obras - Robert Góra - Dominio Público Uruguay

A prebiotically plausible synthesis of pyrimidine β-ribonucleosides and their phosphate derivatives involving photoanomerization

artículo científico publicado en 2016

Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials

artículo científico publicado en 2020

An effective potential for Frenkel excitons

Cover Image

Dimers of formic acid, acetic acid, formamide and pyrrole-2-carboxylic acid: an ab initio study

artículo científico publicado en 2005

Distributed Multipolar Expansion Approach to Calculation of Excitation Energy Transfer Couplings

scientific article published on 01 July 2015

Electric dipole (hyper)polarizabilities of spatially confined LiH molecule

artículo científico publicado en 2012

Electron-Driven Proton Transfer Along H2O Wires Enables Photorelaxation of πσ* States in Chromophore-Water Clusters.

artículo científico publicado en 2015

Electron-driven proton transfer enables nonradiative photodeactivation in microhydrated 2-aminoimidazole

scientific article published on 01 December 2018

Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28

article

Excited-state hydrogen atom abstraction initiates the photochemistry of β-2'-deoxycytidine

artículo científico publicado en 2015

Induced optical activity of DNA-templated cyanine dye aggregates: exciton coupling theory and TD-DFT studies.

artículo científico publicado en 2012

Intermolecular interactions in solution: elucidating the influence of the solvent

artículo científico publicado en 2004

Large changes of static electric properties induced by hydrogen bonding: an ab initio study of linear HCN oligomers

artículo científico publicado en 2011

Molecular Mechanism of Diaminomaleonitrile to Diaminofumaronitrile Photoisomerization: An Intermediate Step in the Prebiotic Formation of Purine Nucleobases

artículo científico publicado en 2014

Molecules in confinement in liquid solvents: general discussion

artículo científico publicado en 2018

On decomposition of interaction-induced electric properties of HF dimer

artículo científico publicado en 2008

On the calculations of interaction energies and induced electric properties within the polarizable continuum model

artículo científico publicado en 2012

On the influence of microsolvation by argon atoms on the electron affinity properties of water dimer

scientific article published on 01 March 2006

On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes

artículo científico publicado en 2009

On the particular importance of vibrational contributions to the static electrical properties of model linear molecules under spatial confinement

artículo científico publicado en 2015

On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules.

artículo científico publicado en 2012

On the physical origins of interaction-induced vibrational (hyper)polarizabilities.

artículo científico publicado en 2016

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems

article

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems

scientific article published on 01 February 2020

Photorelaxation of imidazole and adenine via electron-driven proton transfer along H2O wires

artículo científico publicado en 2016

Photostability of oxazoline RNA-precursors in UV-rich prebiotic environments

scientific article published on 01 November 2018

Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments

artículo científico publicado en 2016

Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization.

artículo científico publicado en 2013

Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene

artículo científico publicado en 2013

Selective prebiotic formation of RNA pyrimidine and DNA purine nucleosides

scientific article published on 03 June 2020

Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purines

artículo científico publicado en 2014

The Ethidium–UA/AU Intercalation Site: Effect of Model Fragmentation and Backbone Charge State

article

The nature of interactions in the ionic crystal of 3-pentenenitrile, 2-nitro-5-oxo, ion(-1), sodium

artículo científico publicado en 2005

Theoretical studies of the mechanism of 2-aminooxazole formation under prebiotically plausible conditions.

artículo científico publicado en 2013

UV-induced hydrogen transfer in DNA base pairs promoted by dark nπ* states

artículo científico publicado en 2019

Ultrafast excited-state dynamics of isocytosine

artículo científico publicado en 2016

Water-chromophore electron transfer determines the photochemistry of cytosine and cytidine.

artículo científico publicado en 2017

Lista de obras de Robert Góra

A prebiotically plausible synthesis of pyrimidine β-ribonucleosides and their phosphate derivatives involving photoanomerization

Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials

An effective potential for Frenkel excitons

Cover Image

Dimers of formic acid, acetic acid, formamide and pyrrole-2-carboxylic acid: an ab initio study

Distributed Multipolar Expansion Approach to Calculation of Excitation Energy Transfer Couplings

Electric dipole (hyper)polarizabilities of spatially confined LiH molecule

Electron-Driven Proton Transfer Along H2O Wires Enables Photorelaxation of πσ* States in Chromophore-Water Clusters.

Electron-driven proton transfer enables nonradiative photodeactivation in microhydrated 2-aminoimidazole

Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28

Excited-state hydrogen atom abstraction initiates the photochemistry of β-2'-deoxycytidine

Induced optical activity of DNA-templated cyanine dye aggregates: exciton coupling theory and TD-DFT studies.

Intermolecular interactions in solution: elucidating the influence of the solvent

Large changes of static electric properties induced by hydrogen bonding: an ab initio study of linear HCN oligomers

Molecular Mechanism of Diaminomaleonitrile to Diaminofumaronitrile Photoisomerization: An Intermediate Step in the Prebiotic Formation of Purine Nucleobases

Molecules in confinement in liquid solvents: general discussion

On decomposition of interaction-induced electric properties of HF dimer

On the calculations of interaction energies and induced electric properties within the polarizable continuum model

On the influence of microsolvation by argon atoms on the electron affinity properties of water dimer

On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes

On the particular importance of vibrational contributions to the static electrical properties of model linear molecules under spatial confinement

On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules.

On the physical origins of interaction-induced vibrational (hyper)polarizabilities.

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems

Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems

Photorelaxation of imidazole and adenine via electron-driven proton transfer along H2O wires

Photostability of oxazoline RNA-precursors in UV-rich prebiotic environments

Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments

Resonance-assisted hydrogen bonds revisited. Resonance stabilization vs. charge delocalization.

Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene

Selective prebiotic formation of RNA pyrimidine and DNA purine nucleosides

Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purines

The Ethidium–UA/AU Intercalation Site: Effect of Model Fragmentation and Backbone Charge State

The nature of interactions in the ionic crystal of 3-pentenenitrile, 2-nitro-5-oxo, ion(-1), sodium

Theoretical studies of the mechanism of 2-aminooxazole formation under prebiotically plausible conditions.

UV-induced hydrogen transfer in DNA base pairs promoted by dark nπ* states

Ultrafast excited-state dynamics of isocytosine

Water-chromophore electron transfer determines the photochemistry of cytosine and cytidine.