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List of works by Robert Góra

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

scientific article published on 21 November 2016

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

scientific article published on 21 December 2020

An effective potential for Frenkel excitons

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

scientific article published on 01 July 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

scientific article published on 01 September 2012

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

scientific article published on 6 April 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

scientific article (publication date: 7 January 2015)

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

scientific article published on 3 December 2012

Intermolecular interactions in solution: elucidating the influence of the solvent

scientific article published on 01 February 2004

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

scientific article published on 14 April 2011

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

scientific article published on 27 January 2014

Molecules in confinement in liquid solvents: general discussion

scientific article published on 01 December 2018

On decomposition of interaction-induced electric properties of HF dimer

scientific article

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

scientific article published on 18 April 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

scientific article published on 01 August 2009

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

scientific article

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.

scientific article

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

scientific article published on 28 July 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

scientific article published on 3 October 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

scientific article

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

scientific article published on 15 January 2013

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

scientific article published on 18 July 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

scientific article published in 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

scientific article published on 01 February 2005

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

scientific article

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

scientific article published on 01 December 2019

Ultrafast excited-state dynamics of isocytosine

scientific article published in 2016

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

scientific article

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