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Risultati 1661 - 1670 di 1700 (tempo di esecuzione: 0.049 secondi).

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Vibrational analysis of XAFS thermal factors by ab-initio molecular dynamics. The Zn2+ aqueous solution as case study

2011 Rega, N.; Brancato, Giuseppe; A., Petrone; P., Caruso; Barone, Vincenzo

Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes

2016 Mazzeo, Giuseppe; Fusè, Marco; Longhi, Giovanna; Rimoldi, Isabella; Cesarotti, Edoardo; Crispini, Alessandra; Abbate, Sergio

Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable

2019 Fusè, Marco; Egidi, Franco; Bloino, Julien

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; Corni, S.; Mennucci, B.; Cammi, R.; Tomasi, J.

Vibrational computations beyond the harmonic approximation: performances of the B3LYP functional for semirigid molecules

2005 P., Carbonniere; T., Lucca; C., Pouchan; N., Rega; Barone, Vincenzo

Vibrational Density Matrix Renormalization Group

2017 Baiardi, Alberto; Stein, Christopher J.; Barone, Vincenzo; Reiher, Markus

VIBRATIONAL MODULATION EFFECTS ON THE HYPERFINE COUPLING-CONSTANTS OF FLUOROMETHYL RADICALS

1993 Barone, Vincenzo; Grand, A; Minichino, C; Subra, R.

Vibrational spectra of difluorosilane from a hybrid ab-initio and DFT quartic force field

2005 D., Begue; P., Carbonniere; Barone, Vincenzo; C., Pouchan

Vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: the case of pyrrole and furan

2004 Barone, Vincenzo

Vibrational zero point energies and thermodynamic functions beyond the harmonic approximation

2004 Barone, Vincenzo

Titolo	Data di pubblicazione	Autori	Tipo
Vibrational analysis of XAFS thermal factors by ab-initio molecular dynamics. The Zn2+ aqueous solution as case study	2011	Rega N.BRANCATO, GiuseppeA. PetroneP. CarusoBARONE, Vincenzo + -	1.1 Articolo in rivista
Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes	2016	MAZZEO, GiuseppeFusè, MarcoLonghi, GiovannaRimoldi, IsabellaCesarotti, EdoardoCrispini, AlessandraAbbate, Sergio + -	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, ChiaraCORNI S.MENNUCCI B.CAMMI R.TOMASI J. + -	1.1 Articolo in rivista
Vibrational computations beyond the harmonic approximation: performances of the B3LYP functional for semirigid molecules	2005	P. CARBONNIERET. LUCCAC. POUCHANN. REGABARONE, Vincenzo + -	1.1 Articolo in rivista
Vibrational Density Matrix Renormalization Group	2017	Baiardi, AlbertoStein, Christopher J.Barone, VincenzoReiher, Markus + -	1.1 Articolo in rivista
VIBRATIONAL MODULATION EFFECTS ON THE HYPERFINE COUPLING-CONSTANTS OF FLUOROMETHYL RADICALS	1993	BARONE, VincenzoGRAND AMINICHINO CSUBRA R. + -	1.1 Articolo in rivista
Vibrational spectra of difluorosilane from a hybrid ab-initio and DFT quartic force field	2005	D. BEGUEP. CARBONNIEREBARONE, VincenzoC. POUCHAN + -	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

Risultati 1661 - 1670 di 1700 (tempo di esecuzione: 0.049 secondi).

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Vibrational analysis of XAFS thermal factors by ab-initio molecular dynamics. The Zn2+ aqueous solution as case study

Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes

Vibrational circular dichroism under the quantum magnifying glass: from the electronic flow to the spectroscopic observable

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

Vibrational computations beyond the harmonic approximation: performances of the B3LYP functional for semirigid molecules

Vibrational Density Matrix Renormalization Group

VIBRATIONAL MODULATION EFFECTS ON THE HYPERFINE COUPLING-CONSTANTS OF FLUOROMETHYL RADICALS

Vibrational spectra of difluorosilane from a hybrid ab-initio and DFT quartic force field

Vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: the case of pyrrole and furan

Vibrational zero point energies and thermodynamic functions beyond the harmonic approximation

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