Ricerca

RicercaInizia una nuova ricerca
NOTA: è possibile cercare una corrispondenza esatta usando i doppi apici, ad es: "evoluzione della specie". Qualora si cerchi un identificativo, è consigliabile cercarlo in due modi differenti: tra apici con caratteri speciali es: "978-94-6366-274" oppure senza caratteri speciali solo come sequenza numerica: es 978946366274.

cerca in

Risultati 31 - 40 di 803 (tempo di esecuzione: 0.015 secondi).

esporta metadati
- RIS
- EndNote
- BibTeX
- Excel
- CSV
- RefWorks

A NEW GENERAL-FORM OF MOLECULAR-FORCE FIELDS - APPLICATION TO INTRARESIDUE AND INTERRESIDUE INTERACTIONS IN PEPTIDES

1992 Amodeo, P; Barone, Vincenzo

A NON-EMPIRICAL AND HAM/3 STUDY OF THE GEOMETRY, CONFORMATIONAL BEHAVIOR AND ELECTRONIC-STRUCTURE OF ISOMERIC VINYLPYRIDINES

1984 Barone, Vincenzo; Bianchi, N; Lelj, F; Abbate, G; Russo, N.

A parameter-free quantum mechanical approach to the calculation of electron transfer rates for large systems in solution

2006 R., Improta; Barone, Vincenzo; M. D., Newton

A plane wave implementation of the polarizable continuum model

2000 DE ANGELIS, F.; Sgamellotti, A.; Cossi, M.; Rega, N.; Barone, Vincenzo

A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS

1983 Corradini, P; Barone, Vincenzo; Fusco, R; Guerra, G.

A PRIORI HYBRIDIZATION WITH THE MAXIMUM LOCALIZATION CRITERION - GENERAL-ASPECTS AND NEW DEVELOPMENTS

1988 Barone, Vincenzo; Delre, G; Barbier, C; Villani, G.

A quantum mechanical/molecular dynamics/mean field study of acrolein in aqueous solution: Analysis of H bonding and bulk effects on spectroscopic properties

2006 Brancato, Giuseppe; Rega, N; Barone, Vincenzo

A reinvestigation of the deceptively simple reaction of toluene with OH, and the fate of the benzyl radical : a combined thermodynamic and kinetic study on the competition between OH-addition and H-abstraction reactions

2020 Salta, Zoi; Kosmas, Agnie M.; Segovia, Marc E.; Kieninger, Martina; Ventura, Oscar N.; Barone, Vincenzo

A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects

2014 Egidi, Franco; Bloino, JULIEN ROLAND MICHEL; Chiara, Cappelli; Barone, Vincenzo

A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies

2012 Bloino, J.; Barone, Vincenzo

Titolo	Data di pubblicazione	Autori	Tipo
A NEW GENERAL-FORM OF MOLECULAR-FORCE FIELDS - APPLICATION TO INTRARESIDUE AND INTERRESIDUE INTERACTIONS IN PEPTIDES	1992	AMODEO PBARONE, Vincenzo + -	1.1 Articolo in rivista
A NON-EMPIRICAL AND HAM/3 STUDY OF THE GEOMETRY, CONFORMATIONAL BEHAVIOR AND ELECTRONIC-STRUCTURE OF ISOMERIC VINYLPYRIDINES	1984	BARONE, VincenzoBIANCHI NLELJ FABBATE GRUSSO N. + -	1.1 Articolo in rivista
A parameter-free quantum mechanical approach to the calculation of electron transfer rates for large systems in solution	2006	R. IMPROTABARONE, VincenzoM. D. NEWTON + -	1.1 Articolo in rivista
A plane wave implementation of the polarizable continuum model	2000	DE ANGELIS F.SGAMELLOTTI A.COSSI M.REGA N.BARONE, Vincenzo + -	1.1 Articolo in rivista
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS	1983	CORRADINI PBARONE, VincenzoFUSCO RGUERRA G. + -	1.1 Articolo in rivista
A PRIORI HYBRIDIZATION WITH THE MAXIMUM LOCALIZATION CRITERION - GENERAL-ASPECTS AND NEW DEVELOPMENTS	1988	BARONE, VincenzoDELRE GBARBIER CVILLANI G. + -	1.1 Articolo in rivista
A quantum mechanical/molecular dynamics/mean field study of acrolein in aqueous solution: Analysis of H bonding and bulk effects on spectroscopic properties	2006	BRANCATO, GiuseppeRega NBARONE, Vincenzo + -	1.1 Articolo in rivista
A reinvestigation of the deceptively simple reaction of toluene with OH, and the fate of the benzyl radical : a combined thermodynamic and kinetic study on the competition between OH-addition and H-abstraction reactions	2020	Zoi SaltaAgnie M. KosmasMarc E. SegoviaMartina KieningerOscar N. VenturaVincenzo Barone + -	1.1 Articolo in rivista
A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects	2014	EGIDI, FRANCOJulien BloinoBARONE, VincenzoChiara Cappelli	1.1 Articolo in rivista
A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies	2012	Bloino J.BARONE, Vincenzo	1.1 Articolo in rivista

Risultati 31 - 40 di 803 (tempo di esecuzione: 0.015 secondi).

↑ Back to top

Legenda icone

file ad accesso aperto
file disponibili sulla rete interna
file disponibili agli utenti autorizzati
file non ad Accesso aperto
file sotto embargo
nessun file disponibile

Aggiungere filtri:

Aggiungi

Opzioni

Risultati/pagina

Ordina per

In ordine

Scopri

Accesso al fulltext

no fulltext 676
open 75
reserved 29
partially open 22
embargoed 1

A NEW GENERAL-FORM OF MOLECULAR-FORCE FIELDS - APPLICATION TO INTRARESIDUE AND INTERRESIDUE INTERACTIONS IN PEPTIDES

A NON-EMPIRICAL AND HAM/3 STUDY OF THE GEOMETRY, CONFORMATIONAL BEHAVIOR AND ELECTRONIC-STRUCTURE OF ISOMERIC VINYLPYRIDINES

A parameter-free quantum mechanical approach to the calculation of electron transfer rates for large systems in solution

A plane wave implementation of the polarizable continuum model

A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS

A PRIORI HYBRIDIZATION WITH THE MAXIMUM LOCALIZATION CRITERION - GENERAL-ASPECTS AND NEW DEVELOPMENTS

A quantum mechanical/molecular dynamics/mean field study of acrolein in aqueous solution: Analysis of H bonding and bulk effects on spectroscopic properties

A reinvestigation of the deceptively simple reaction of toluene with OH, and the fate of the benzyl radical : a combined thermodynamic and kinetic study on the competition between OH-addition and H-abstraction reactions

A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects

A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies

Legenda icone

Aggiungere filtri:

Opzioni

Scopri

Tipologia

Autore

Data di pubblicazione

Editore

Rivista

Settore disciplinare

Keyword

Lingua

Accesso al fulltext

Appartenenza

Disciplina SNS