BICZYSKO, MALGORZATA AGNIESZKA

BICZYSKO, MALGORZATA AGNIESZKA  

Classe di Scienze  

Mostra records
Risultati 1 - 19 di 19 (tempo di esecuzione: 0.019 secondi).
Titolo Data di pubblicazione Autori Tipo File
Accurate anharmonic vibrational frequencies for uracil: the performance of composite schemes and hybrid CC/DFT model 1-gen-2011 BICZYSKO, MALGORZATA AGNIESZKABarone V. + 1.1 Articolo in rivista
Accurate ground and excited state studies for molecular systems of biological interest. 1-gen-2007 BICZYSKO, MALGORZATA AGNIESZKABLOINO, JULIENBARONE, Vincenzo + 4.1 Contributo in Atti di convegno
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane 1-gen-2014 BARONE, VincenzoBICZYSKO, MALGORZATA AGNIESZKABLOINO, JULIENPUZZARINI, Cristina 1.1 Articolo in rivista
Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states 1-gen-2018 Puzzarini C.Biczysko M.Bloino J.Lattanzi V.Grabow J. -U. + 1.1 Articolo in rivista
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 1-gen-2013 Barone, VincenzoBiczysko, MalgorzataBloino, JulienEgidi, FrancoPuzzarini, Cristina 1.1 Articolo in rivista
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study 1-gen-2017 BLOINO, JULIENTASINATO, NicolaCARNIMEO, ivanBICZYSKO, MALGORZATA AGNIESZKAPUZZARINI, Cristina + 1.1 Articolo in rivista
CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study 1-gen-2015 Barone V.Biczysko M.Bloino J.Penocchio E.Puzzarini C. + 1.1 Articolo in rivista
Computational challenges in Astrochemistry 1-gen-2018 Biczysko, MalgorzataBloino, JulienPuzzarini, Cristina 1.1 Articolo in rivista
Correction to Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules 1-gen-2016 Piccardo, MatteoPenocchio, EmanuelePuzzarini, CristinaBiczysko, MalgorzataBarone, Vincenzo 1.1 Articolo in rivista
Environmental and dynamical effects on the optical properties of molecular systems by time-independent and time-dependent approaches: Coumarin derivatives as test cases 1-gen-2014 BARONE, VincenzoBICZYSKO, MALGORZATA AGNIESZKABLOINO, JULIENCARTA, LUCIANO GIUSEPPEPEDONE, ALFONSO 1.1 Articolo in rivista
Fully anharmonic IR and Raman spectra of medium-size molecular systems: Accuracy and interpretation 1-gen-2014 Barone, VincenzoBiczysko, MalgorzataBloino, Julien 1.1 Articolo in rivista
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 1-gen-2015 LICARI, DANIELEBAIARDI, ALBERTOBICZYSKO, MALGORZATA AGNIESZKAEGIDI, FRANCOLATOUCHE, CAMILLEBARONE, Vincenzo 1.1 Articolo in rivista
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment 1-gen-2014 PUZZARINI, CristinaPENOCCHIO, EMANUELEBICZYSKO, MALGORZATA AGNIESZKABARONE, Vincenzo 1.1 Articolo in rivista
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a 1-gen-2014 Barone V.Biczysko M.Bloino J. + 1.1 Articolo in rivista
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules 1-gen-2015 BARONE, VincenzoBICZYSKO, MALGORZATA AGNIESZKAPUZZARINI, Cristina 1.1 Articolo in rivista
Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases 1-gen-2016 FORNARO, TERESABICZYSKO, MALGORZATA AGNIESZKABLOINO, JULIENBARONE, Vincenzo 1.1 Articolo in rivista
Simulation of Vacuum UV Absorption and Electronic Circular Dichroism Spectra of Methyl Oxirane: The Role of Vibrational Effects 1-gen-2016 HODECKER, ManuelBICZYSKO, MALGORZATA AGNIESZKABARONE, Vincenzo + 1.1 Articolo in rivista
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate) 1-gen-2015 Barone V.Bellina F.Biczysko M.Bloino J.Fornaro T.Latouche C.Lessi M.Marianetti G.Minei P. + 1.1 Articolo in rivista
Virtual eyes for technology and cultural heritage: towards computational strategy for new and old indigo-based dyes 1-gen-2015 Barone, VincenzoBiczysko, MalgorzataLatouche, CamillePASTI, ANDREA 1.1 Articolo in rivista