Filippo Lipparini

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Benedetta MennucciDepartment of Chemistry, University of PisaAdresse e-mail validée de dcci.unipi.it
Benjamin StammUniversity of StuttgartAdresse e-mail validée de ians.uni-stuttgart.de
Jürgen GaussProfessor of theoretical chemistry, Johannes Gutenberg-Universität MainzAdresse e-mail validée de uni-mainz.de
Louis LagardèreSorbonne UniversitéAdresse e-mail validée de sorbonne-universite.fr
Jean-Philip PiquemalDistinguished Professor of Theoretical Chemistry, Sorbonne UniversitéAdresse e-mail validée de sorbonne-universite.fr
Vincenzo BaroneProfessore di Chimica Teorica e Computazionale Scuola Normale SuperioreAdresse e-mail validée de sns.it
madayProfesseur de mathématiques appliquées, Université Pierre et Marie Curie, Laboratoire J.-L. LionsAdresse e-mail validée de ann.jussieu.fr
Lorenzo CupelliniDipartimento di Chimica e Chimica Industriale, Università di PisaAdresse e-mail validée de unipi.it
Eric CANCESEcole des Ponts ParisTech and INRIAAdresse e-mail validée de cermics.enpc.fr
Giovanni ScalmaniGaussian, Inc.Adresse e-mail validée de gaussian.com
Michele NottoliUniversity of StuttgartAdresse e-mail validée de mathematik.uni-stuttgart.de
Chiara CappelliScuola Normale SuperioreAdresse e-mail validée de sns.it
Michael J. FrischGaussian, Inc.Adresse e-mail validée de gaussian.com
Stella StopkowiczFachrichtung Chemie, Universität des SaarlandesAdresse e-mail validée de uni-saarland.de
Julien BloinoScuola Normale SuperioreAdresse e-mail validée de sns.it
Pengyu RenDepartment of Biomedical Engineering, The University of Texas at AustinAdresse e-mail validée de mail.utexas.edu
Michael J. SchniedersAssociate Professor of Biomedical Engineering and Biochemistry, The University of IowaAdresse e-mail validée de uiowa.edu
Stefano CapraseccaVerizon ConnectAdresse e-mail validée de verizonconnect.com
Étienne PolackCERMICS – Centre d'Enseignement et de Recherche en Mathématiques et Calcul ScientifiqueAdresse e-mail validée de hollved.net
daniele locoR&D Engineer, Qubit PharmaceuticalsAdresse e-mail validée de qubit-pharmaceuticals.com

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Filippo Lipparini

Dipartimento di Chimica e Chimica Industriale, Università di Pisa

Adresse e-mail validée de unipi.it - Page d'accueil

Theoretical Chemistry


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Coupled-cluster techniques for computational chemistry: The CFOUR program package DA Matthews, L Cheng, ME Harding, F Lipparini, S Stopkowicz, TC Jagau, ... The Journal of Chemical Physics 152 (21), 2020	486	2020
Gaussian16; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford, CT, 2016	266	2016
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields L Lagardère, LH Jolly, F Lipparini, F Aviat, B Stamm, ZF Jing, M Harger, ... Chemical science 9 (4), 956-972, 2018	213	2018
A QM/MM approach using the AMOEBA polarizable embedding: from ground state energies to electronic excitations D Loco, É Polack, S Caprasecca, L Lagardere, F Lipparini, JP Piquemal, ... Journal of chemical theory and computation 12 (8), 3654-3661, 2016	174	2016
A fully automated implementation of VPT2 Infrared intensities V Barone, J Bloino, CA Guido, F Lipparini Chemical Physics Letters 496 (1-3), 157-161, 2010	170	2010
A mountaineering strategy to excited states: Highly accurate energies and benchmarks for medium sized molecules PF Loos, F Lipparini, M Boggio-Pasqua, A Scemama, D Jacquemin Journal of Chemical Theory and Computation 16 (3), 1711-1741, 2020	167	2020
A variational formulation of the polarizable continuum model F Lipparini, G Scalmani, B Mennucci, E Cancès, M Caricato, MJ Frisch The Journal of chemical physics 133 (1), 2010	165	2010
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments V Barone, A Baiardi, M Biczysko, J Bloino, C Cappelli, F Lipparini Physical Chemistry Chemical Physics 14 (36), 12404-12422, 2012	164	2012
Polarizable force fields and polarizable continuum model: A fluctuating charges/PCM approach. 1. Theory and implementation F Lipparini, V Barone Journal of chemical theory and computation 7 (11), 3711-3724, 2011	158	2011
Polarizable embedding QM/MM: the future gold standard for complex (bio) systems? M Bondanza, M Nottoli, L Cupellini, F Lipparini, B Mennucci Physical Chemistry Chemical Physics 22 (26), 14433-14448, 2020	140	2020
Linear response theory and electronic transition energies for a fully polarizable QM/classical hamiltonian F Lipparini, C Cappelli, V Barone Journal of chemical theory and computation 8 (11), 4153-4165, 2012	137	2012
Fast domain decomposition algorithm for continuum solvation models: Energy and first derivatives F Lipparini, B Stamm, E Cances, Y Maday, B Mennucci Journal of chemical theory and computation 9 (8), 3637-3648, 2013	124	2013
16, Revision C. 01, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford CT 2016, 2016	123	2016
QUESTDB: A database of highly accurate excitation energies for the electronic structure community M Véril, A Scemama, M Caffarel, F Lipparini, M Boggio‐Pasqua, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1517, 2021	121	2021
Gaussian Development Version Revision J. 06+ MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc., Wallingford CT, 2020	107	2020
Gaussian 16, revision C. 02; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford, CT, 2019	107	2019
Hybrid QM/MM molecular dynamics with AMOEBA polarizable embedding D Loco, L Lagardère, S Caprasecca, F Lipparini, B Mennucci, ... Journal of chemical theory and computation 13 (9), 4025-4033, 2017	105	2017
Perspective: Polarizable continuum models for quantum-mechanical descriptions F Lipparini, B Mennucci The Journal of chemical physics 144 (16), 2016	103	2016
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields EG Kratz, AR Walker, L Lagardère, F Lipparini, JP Piquemal, ... Journal of computational chemistry 37 (11), 1019-1029, 2016	97	2016
The optical rotation of methyloxirane in aqueous solution: a never ending story? F Lipparini, F Egidi, C Cappelli, V Barone Journal of Chemical Theory and Computation 9 (4), 1880-1884, 2013	94	2013

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