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Mostrati risultati da 1.870 a 1.889 di 1.922
Titolo Data di pubblicazione Autori Tipo File
A variational matrix decomposition applied to full configuration-interaction calculations 1992 Koch, Henrik + 1.1 Articolo in rivista
A variational treatment of hydrodynamic and magnetohydrodynamic flows 2007 Andreussi, Tommaso Doctoral Thesis
VCD spectroscopy as an excellent probe of chiral metal complexes containing a carbon monoxide vibrational chromophore 2015 Fusè, MarcoMazzeo, Giuseppe + 1.1 Articolo in rivista
Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model 2013 BARONE, VincenzoChiara Cappelli + 1.1 Articolo in rivista
Vibrational analyses for CHFClBr and CDFClBr based on high level ab initio calculations 2006 BARONE, Vincenzo + 1.1 Articolo in rivista
Vibrational analysis beyond the harmonic regime from ab initio dynamics 2005 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
Vibrational analysis of x-ray absorption fine structure thermal factors by ab initio molecular dynamics: The Zn(II) ion in aqueous solution as a case study 2011 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
Vibrational analysis of XAFS thermal factors by ab-initio molecular dynamics. The Zn2+ aqueous solution as case study 2011 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
The vibrational and temperature dependence of the indirect nuclear spin-spin coupling constants of the oxonium (H3O+) and hydroxyl (OH-) ions 1998 Koch, Henrik + 1.1 Articolo in rivista
The vibrational CD spectra of propylene oxide in liquid xenon: a proof-of-principle CryoVCD study that challenges theory 2019 Bloino J. + 1.1 Articolo in rivista
Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes 2016 MAZZEO, GiuseppeFusè, Marco + 1.1 Articolo in rivista
Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable 2019 Fusè, MarcoEgidi, FrancoBloino, Julien 1.1 Articolo in rivista
Vibrational circular dichroism within the polarizable continuum model: a theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution 2002 CAPPELLI, Chiara + 1.1 Articolo in rivista
Vibrational computations beyond the harmonic approximation: performances of the B3LYP functional for semirigid molecules 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
Vibrational Density Matrix Renormalization Group 2017 Baiardi, AlbertoBarone, Vincenzo + 1.1 Articolo in rivista
VIBRATIONAL MODULATION EFFECTS ON THE HYPERFINE COUPLING-CONSTANTS OF FLUOROMETHYL RADICALS 1993 BARONE, Vincenzo + 1.1 Articolo in rivista
Vibrational spectra of difluorosilane from a hybrid ab-initio and DFT quartic force field 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
Vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: the case of pyrrole and furan 2004 BARONE, Vincenzo 1.1 Articolo in rivista
Vibrational zero point energies and thermodynamic functions beyond the harmonic approximation 2004 BARONE, Vincenzo 1.1 Articolo in rivista
Vibrationally resolved NEXAFS at C and N K-edges of pyridine, 2-fluoropyridine and 2,6-difluoropyridine: A combined experimental and theoretical assessment 2015 Baiardi, AlbertoMendolicchio, MarcoBarone, VincenzoSTENER, Mauro + 1.1 Articolo in rivista
Mostrati risultati da 1.870 a 1.889 di 1.922
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