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Risultati 1 - 10 di 149 (tempo di esecuzione: 0.011 secondi).

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A 4,4′-bis(2-benzoxazolyl)stilbene luminescent probe: Assessment of aggregate formation through photophysics experiments and quantum-chemical calculations

2018 Battisti, Antonella; Ambrosetti, Matteo; Ruggeri, Giacomo; Cappelli, Chiara; Pucci, Andrea

A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

2014 Egidi, Franco; Mireia, Segado; Henrik, Koch; Cappelli, Chiara; Barone, Vincenzo

A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics

2019 Giovannini, Tommaso; Rosa, Marta; Corni, Stefano; Cappelli, Chiara

A Combination of Transient 2D-IR Experiments and ab initio Computations Sheds Light on the Formation of the Charge-Transfer State in Photoexcited Carbonyl Carotenoids

2014 Mariangela Di, Donato; Mireia Segado, Centellas; Andrea, Lapini; Manuela, Lima; Francisco Jose Avila, Ferrer; Fabrizio, Santoro; Cappelli, Chiara; Roberto, Righini

A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution

2018 Egidi, Franco; Giovannini, Tommaso; Del Frate, Gianluca; Lemler, Paul M; Vaccaro, Patrick Henry; Cappelli, Chiara

A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution

2016 Olszówka, Marta; Russo, Rosario; Mancini, Giordano; Cappelli, Chiara

A Computational Study of Conformational and Chiroptical Properties of (2R,3S,4R)- (+)-3,3’,4,4’,7-flavanpentol

2005 Cappelli, Chiara; S., Monti; S., Bronco

A computational study of some electric and magnetic properties of gaseous BF3 and BCl3

2005 A., Rizzo; Cappelli, Chiara; J. M., JUNQUERA HERNANDEZ; A. M. J., SANCHEZ DE MERAS; J., SANCHEZ MARIN; Helgaker, D. J. D. W. I. L. S. O. N. T.

A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005)

2008 Rizzo, A; Cappelli, C; Jansik, B; Jonsson, D; Salek, P; Coriani, S; Agren, H; Wilson, Djd; Helgaker, T; JUNQUERA-HERNANDEZ, Jm; DE MERAS, Amjs; SANCHEZ-MARIN, J

A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications

2013 Filippo, Lipparini; Chiara, Cappelli; Barone, Vincenzo

Titolo	Data di pubblicazione	Autori	Tipo
A 4,4′-bis(2-benzoxazolyl)stilbene luminescent probe: Assessment of aggregate formation through photophysics experiments and quantum-chemical calculations	2018	Battisti, AntonellaAmbrosetti, MatteoRuggeri, GiacomoCappelli, ChiaraPucci, Andrea + -	1.1 Articolo in rivista
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule	2014	EGIDI, FRANCOMireia SegadoHenrik KochCAPPELLI, ChiaraBARONE, Vincenzo + -	1.1 Articolo in rivista
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics	2019	Giovannini, TommasoRosa, MartaCORNI, StefanoCappelli, Chiara + -	1.1 Articolo in rivista
A Combination of Transient 2D-IR Experiments and ab initio Computations Sheds Light on the Formation of the Charge-Transfer State in Photoexcited Carbonyl Carotenoids	2014	Mariangela Di DonatoMireia Segado CentellasAndrea LapiniManuela LimaFrancisco Jose Avila FerrerFabrizio SantoroCAPPELLI, ChiaraRoberto Righini + -	1.1 Articolo in rivista
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution	2018	Egidi, FrancoGiovannini, TommasoDel Frate, GianlucaLemler, Paul MVACCARO, Patrick HenryCappelli, Chiara + -	1.1 Articolo in rivista
A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution	2016	Olszówka, MartaRusso, RosarioMANCINI, GIORDANOCAPPELLI, Chiara + -	1.1 Articolo in rivista
A Computational Study of Conformational and Chiroptical Properties of (2R,3S,4R)- (+)-3,3’,4,4’,7-flavanpentol	2005	CAPPELLI, ChiaraS. MONTIS. BRONCO + -	1.1 Articolo in rivista
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3	2005	A. RIZZOCAPPELLI, ChiaraJ. M. JUNQUERA HERNANDEZA. M. J. SANCHEZ DE MERASJ. SANCHEZ MARIND. J. D. W.I.L.S.O.N. T. HELGAKER + -	1.1 Articolo in rivista
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005)	2008	RIZZO, ACAPPELLI, CJANSIK, BJONSSON, DSALEK, PCORIANI, SAGREN, HWILSON, DJDHELGAKER, TJUNQUERA-HERNANDEZ, JMDE MERAS, AMJSSANCHEZ-MARIN, J + -	1.1 Articolo in rivista
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications	2013	Filippo LippariniBARONE, VincenzoChiara Cappelli + -	1.1 Articolo in rivista

Risultati 1 - 10 di 149 (tempo di esecuzione: 0.011 secondi).

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A 4,4′-bis(2-benzoxazolyl)stilbene luminescent probe: Assessment of aggregate formation through photophysics experiments and quantum-chemical calculations

A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics

A Combination of Transient 2D-IR Experiments and ab initio Computations Sheds Light on the Formation of the Charge-Transfer State in Photoexcited Carbonyl Carotenoids

A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution

A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution

A Computational Study of Conformational and Chiroptical Properties of (2R,3S,4R)- (+)-3,3’,4,4’,7-flavanpentol

A computational study of some electric and magnetic properties of gaseous BF3 and BCl3

A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005)

A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications

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