Giovanni Granucci : rechercher sur Z-Library

Journal of Computational Chemistry

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 182 KB

english, 2011

Stochastic model for photoinduced anisotropy

Valentina Cantatore, Giovanni Granucci, Maurizio Persico

Journal:

Journal of Computational Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 972 KB

english, 2012

Benzene—O2 interaction potential from ab initio calculations

Journal:

Année:

1993

Langue:

english

Fichier:

PDF, 550 KB

english, 1993

Coherent excitation of wavepackets in two electronic states. Interference effects at an avoided crossing

Journal:

Celestino Angeli, Giovanni Granucci, Maurizio Persico

Année:

1995

Langue:

english

Fichier:

PDF, 533 KB

english, 1995

A surface hopping study of energy transfer in Na + Cd∗* collisions

Journal:

Année:

1996

Langue:

english

Fichier:

PDF, 389 KB

english, 1996

Electronic structure, vibrational spectrum and photochemistry of the Fe+H2 system

Journal:

Giovanni Granucci, Yves Ellinger, Pierre Boissel

Année:

1992

Langue:

english

Fichier:

PDF, 917 KB

english, 1992

The energetics of fragmentation of the naphthalene cation

Journal:

Cosimo Ciminelli, Giovanni Granucci, Maurizio Persico

Année:

1995

Langue:

english

Fichier:

PDF, 721 KB

english, 1995

The photoisomerization of a peptidic derivative of azobenzene: A nonadiabatic dynamics simulation of a supramolecular system

Journal:

Luigi Creatini, Teresa Cusati, Giovanni Granucci, Maurizio Persico

Année:

2008

Langue:

english

Fichier:

PDF, 719 KB

english, 2008

Photodynamics of azobenzene in a hindering environment

Journal:

Emilio Martínez-Núñez, Saulo Vázquez, Giovanni Granucci, Maurizio Persico, Carlos M. Estevez

Année:

2008

Langue:

english

Fichier:

PDF, 1.68 MB

english, 2008

Photodissociation of formic acid: A trajectory surface hopping study

Journal:

Patrick Cassam-Chenaï, Giovanni Granucci

Année:

2005

Langue:

english

Fichier:

PDF, 281 KB

english, 2005

The electronic mean field configuration interaction method: II – Improving guess geminals

Journal:

Giovanni Granucci, Gregory Medders, Ana Maria Velasco

Année:

2007

Langue:

english

Fichier:

PDF, 135 KB

english, 2007

Potential energy surfaces of the first three singlet states of

Journal:

Mario Barbatti, Giovanni Granucci, Maurizio Persico, Matthias Ruckenbauer, Mario Vazdar, Mirjana Eckert-Maksić, Hans Lischka

Année:

2010

Langue:

english

Fichier:

PDF, 339 KB

english, 2010

The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2007

Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals

Giovanni Granucci, Alessandro Toniolo

Journal:

Maurizio Persico, Giovanni Granucci, Silvia Inglese, Teodoro Laino, Alessandro Toniolo

Année:

2000

Langue:

english

Fichier:

PDF, 120 KB

english, 2000

Semiclassical simulation of photochemical reactions in condensed phase

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 160 KB

english, 2003

Quantum and semiclassical dynamics of the Franck–Condon wave packet on the coupled potential surfaces of the X 2A′/A 2A′ conical intersection

Fabrizio Santoro, Carlo Petrongolo, Giovanni Granucci, Maurizio Persico

Journal:

Fabrizio Santoro, Carlo Petrongolo, Giovanni Granucci, Maurizio Persico

Année:

2000

Langue:

english

Fichier:

PDF, 784 KB

english, 2000

Erratum to “Quantum and semiclassical dynamics of the Franck–Condon wave packet on the coupled potential surfaces of the NO2 X̃2 A′/Ã 2A′ conical intersection” [Chemical Physics 259 (2000) 193–200]

Journal:

David Romstad, Giovanni Granucci, Maurizio Persico

Année:

2000

Fichier:

PDF, 36 KB

2000

Nonadiabatic transitions and interference in photodissociation dynamics

Journal:

James T Hynes, Thu-Hoa Tran-Thi, Giovanni Granucci

Année:

1997

Langue:

english

Fichier:

PDF, 750 KB

english, 1997

Intermolecular photochemical proton transfer in solution: new insights and perspectives

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 168 KB

english, 2002

Excited state dynamics with the direct trajectory surface hopping method: azobenzene and its derivatives as a case study

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2007

Semiempirical Hamiltonian for Simulation of Azobenzene Photochemistry

Cusati, Teresa, Granucci, Giovanni, Martínez-Núñez, Emilio, Martini, Francesca, Persico, Maurizio, Vázquez, Saulo

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 2.82 MB

english, 2012

Photodynamics and Time-Resolved Fluorescence of Azobenzene in Solution: A Mixed Quantum-Classical Simulation

Cusati, Teresa, Granucci, Giovanni, Persico, Maurizio

Journal:

Journal of the American Chemical Society

Année:

2011

Langue:

english

Fichier:

PDF, 2.41 MB

english, 2011

Unusual photochemical dynamics of a bridged azobenzene derivative

Carstensen, Ole, Sielk, Jan, Schönborn, Jan Boyke, Granucci, Giovanni, Hartke, Bernd

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 1.58 MB

english, 2010

Electronic structure of compounds with Fe-C bonds

Journal of Molecular Structure: THEOCHEM

Journal:

Année:

1993

Langue:

english

Fichier:

PDF, 483 KB

english, 1993

Critical appraisal of the fewest switches algorithm for surface hopping

Granucci, Giovanni, Persico, Maurizio

Journal:

Granucci, Giovanni, Hynes, James T., Millié, Philippe, Tran-Thi, Thu-Hoa

Année:

2007

Langue:

english

Fichier:

PDF, 402 KB

english, 2007

A Theoretical Investigation of Excited-State Acidity of Phenol and Cyanophenols

Journal:

Journal of the American Chemical Society

Année:

2000

Langue:

english

Fichier:

PDF, 114 KB

english, 2000

Photochemistry of DNA Fragments Via Semiclassical Nonadiabatic Dynamics

Alexandrova, Anastassia, Tully, John, Granucci, Giovanni

Journal:

Biophysical Journal

Année:

2010

Langue:

english

Fichier:

PDF, 95 KB

english, 2010

Newton-X: a surface-hopping program for nonadiabatic molecular dynamics

Barbatti, Mario, Ruckenbauer, Matthias, Plasser, Felix, Pittner, Jiri, Granucci, Giovanni, Persico, Maurizio, Lischka, Hans

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Année:

2014

Langue:

english

Fichier:

PDF, 371 KB

english, 2014

Photochemistry of DNA Fragments via Semiclassical Nonadiabatic Dynamics

Alexandrova, Anastassia N., Tully, John C., Granucci, Giovanni

Journal:

Journal of Physical Chemistry B

Année:

2010

Langue:

english

Fichier:

PDF, 6.11 MB

english, 2010

Oscillator strength and polarization of the forbidden n→π[sup

Cusati, Teresa, Granucci, Giovanni, Persico, Maurizio, Spighi, Gloria

Journal:

Cantatore, Valentina, Granucci, Giovanni, Persico, Maurizio

Année:

2008

Langue:

english

Fichier:

PDF, 636 KB

english, 2008

Simulation of the π→

Journal:

Computational and Theoretical Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2014

The Chromophore of asFP595: A Theoretical Study

Amat, Pietro, Granucci, Giovanni, Buda, Francesco, Persico, Maurizio, Tozzini, Valentina

Journal:

Journal of Physical Chemistry B

Année:

2006

Langue:

english

Fichier:

PDF, 118 KB

english, 2006

An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces

Maurizio Persico,Giovanni Granucci

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2014

Langue:

english

Fichier:

PDF, 1.02 MB

english, 2014

[IEEE 2011 IEEE 24th Symposium on Fusion Engineering (SOFE) - Chicago, IL, USA (2011.06.26-2011.06.30)] 2011 IEEE/NPSS 24th Symposium on Fusion Engineering - A real-time tracking for optimal wave injection in overdense plasma heating experiments at 140 GHz in FTU

Bin, William, Alessi, Edoardo, Bruschi, Alex, Galperti, Cristian, Granucci, Gustavo, Grossetti, Giovanni, Moro, Alessandro, Nowak, Silvana

Année:

2011

Langue:

english

Fichier:

PDF, 1.07 MB

english, 2011

Simulations of Condensed Phase Photochemistry: Cage Effect and Internal Conversion in Azoalkanes and Nitrosamines

Cattaneo, Paola, Granucci, Giovanni, Persico, Maurizio

Journal:

Journal of Physical Chemistry A

Année:

1999

Langue:

english

Fichier:

PDF, 163 KB

english, 1999

Theoretical Study of the Chemiluminescence of the Al + H 2 O Reaction

Álvarez-Barcia, Sonia, Flores, Jesús R., Granucci, Giovanni, Persico, Maurizio

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 2.60 MB

english, 2013

Competing ultrafast intersystem crossing and internal conversion: a time resolved picture for the deactivation of 6-thioguanine

Martínez-Fernández, Lara, Corral, Inés, Granucci, Giovanni, Persico, Maurizio

Journal:

Chemical Science

Année:

2014

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2014

Theoretical study of the photodissociation dynamics of ClOOCl

Toniolo, Alessandro, Granucci, Giovanni, Inglese, Silvia, Persico, Maurizio

Journal:

Granucci, Giovanni, Mazzoni, Marina, Persico, Maurizio, Toniolo, Alessandro

Année:

2001

Langue:

english

Fichier:

PDF, 498 KB

english, 2001

A computational study of the excited states of bilirubin IX

Journal:

Favero, Lucilla, Granucci, Giovanni, Persico, Maurizio

Année:

2005

Langue:

english

Fichier:

PDF, 565 KB

english, 2005

Dynamics of acetone photodissociation: a surface hopping study

Journal:

IEEE Transactions on Plasma Science

Année:

2013

Langue:

english

Fichier:

PDF, 1.87 MB

english, 2013

A Real-Time Tracking for Optimal Wave Injection in Overdense Plasma Heating Experiments at 140 GHz in FTU

Bin, William, Alessi, Edoardo, Bruschi, Alex, Galperti, Cristian, Granucci, Gustavo, Grossetti, Giovanni, Moro, Alessandro, Nowak, Silvana

Journal:

Année:

2012

Langue:

english

Fichier:

PDF, 581 KB

english, 2012

Are azobenzenophanes rotation-restricted?

Ciminelli, Cosimo, Granucci, Giovanni, Persico, Maurizio

Journal:

Granucci, Giovanni, Magnier, Sylvie, Persico, Maurizio

Année:

2005

Langue:

english

Fichier:

PDF, 752 KB

english, 2005

Rabi oscillations in the dissociative continuum: Rotation and alignment effects

Journal:

Cantatore, Valentina, Granucci, Giovanni, Persico, Maurizio

Année:

2002

Langue:

english

Fichier:

PDF, 377 KB

english, 2002

The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model

Journal:

Bajo, Juan José, Granucci, Giovanni, Persico, Maurizio

Année:

2014

Langue:

english

Fichier:

PDF, 3.02 MB

english, 2014

Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions

Journal:

Granucci, Giovanni, Persico, Maurizio, Van Leuven, Piet

Année:

2014

Langue:

english

Fichier:

PDF, 524 KB

english, 2014

Alignment of molecules in pulsed resonant laser fields

Journal: