Luca Frediani

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Kenneth RuudHylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University ofZweryfikowany adres z uit.no
Roberto CammiDipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di ParmaZweryfikowany adres z unipr.it
Arnfinn SteindalUiTZweryfikowany adres z uit.no
Jacob KongstedUniverity of Southern DenmarkZweryfikowany adres z sdu.dk
hans agrenDepartment of Physics and Astronomy, Uppsala UniversityZweryfikowany adres z physics.uu.se
Chiara CappelliScuola Normale SuperioreZweryfikowany adres z sns.it
Stefano CorniDept. Chemical Sciences, University of Padova, ItalyZweryfikowany adres z unipd.it
Jógvan Magnus Haugaard OlsenTechnical University of DenmarkZweryfikowany adres z kemi.dtu.dk
Kathrin H. Hopmann, Professor in Co...University of TromsøZweryfikowany adres z uit.no
Sonia CorianiDepartment of Chemistry, Technical University of DenmarkZweryfikowany adres z kemi.dtu.dk
Christian S. PomelliAssociate Professor - General Chemistry - Dept. of Pharmacy - University of PisaZweryfikowany adres z farm.unipi.it
José A. Flores LivasSapienza University of RomeZweryfikowany adres z uniroma1.it
Santanu SahaAssistant Professor (Enseignant-Chercheur), Universite de Limoges and IRCER CNRS UMR 7315Zweryfikowany adres z unilim.fr
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCZweryfikowany adres z duke.edu
Kurt V. MikkelsenProfessor of Theoretical Chemistry, Department of Chemistry, University of CopenhagenZweryfikowany adres z chem.ku.dk
Maarten T. P. BeerepootDepartment of Chemistry, UiT The Arctic UniversityZweryfikowany adres z uit.no
Trygve HelgakerUniversity of OsloZweryfikowany adres z kjemi.uio.no
Helmut HarbrechtUniversity of BaselZweryfikowany adres z unibas.ch
Luo Yi - KTHProfessor of Theoretical Chemistry, Royal Institute of Technology, University of Science andZweryfikowany adres z kth.se
Dage SundholmProfessor in theoretical and computational chemistryZweryfikowany adres z helsinki.fi

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Luca Frediani

Hylleraas Centre, UiT, The Arctic University of Norway

Zweryfikowany adres z uit.no - Strona główna

Wavelets Multiwavelets DFT Solvation Quantum Chemistry


Tytuł Sortuj wg cytatów Sortuj wg roku Sortuj wg tytułu	Cytowane przez Cytowane przez	Rok
The D alton quantum chemistry program system K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014	1512*	2014
Excitation energies in solution: the fully polarizable QM/MM/PCM method AH Steindal, K Ruud, L Frediani, K Aidas, J Kongsted The Journal of Physical Chemistry B 115 (12), 3027-3037, 2011	158	2011
The elephant in the room of density functional theory calculations SR Jensen, S Saha, JA Flores-Livas, W Huhn, V Blum, S Goedecker, ... The journal of physical chemistry letters 8 (7), 1449-1457, 2017	144	2017
Multiconfigurational self-consistent field linear response for the polarizable continuum model: theory and application to ground and excited-state polarizabilities of para … R Cammi, L Frediani, B Mennucci, K Ruud The Journal of chemical physics 119 (12), 5818-5827, 2003	136	2003
Two-photon absorption in solution by means of time-dependent density-functional theory and the polarizable continuum model L Frediani, Z Rinkevicius, H Ågren The Journal of chemical physics 122 (24), 2005	135	2005
Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push–pull phenylpolyenes in solution L Ferrighi, L Frediani, C Cappelli, P Sałek, H Ågren, T Helgaker, K Ruud Chemical physics letters 425 (4-6), 267-272, 2006	111	2006
A polarizable continuum model for molecules at diffuse interfaces L Frediani, R Cammi, S Corni, J Tomasi The Journal of chemical physics 120 (8), 3893-3907, 2004	91	2004
A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation R Cammi, L Frediani, B Mennucci, J Tomasi, K Ruud, KV Mikkelsen The Journal of chemical physics 117 (1), 13-26, 2002	91	2002
A combined quantum mechanics/molecular mechanics study of the one-and two-photon absorption in the green fluorescent protein AH Steindal, JMH Olsen, K Ruud, L Frediani, J Kongsted Physical Chemistry Chemical Physics 14 (16), 5440-5451, 2012	89	2012
Solvent effects on the indirect spin–spin coupling constants of benzene: the DFT-PCM approach K Ruud, L Frediani, R Cammi, B Mennucci International Journal of Molecular Sciences 4 (3), 119-134, 2003	83	2003
Solvent effects on two-photon absorption of dialkylamino substituted distyrylbenzene chromophore K Zhao, L Ferrighi, L Frediani, CK Wang, Y Luo The Journal of chemical physics 126 (20), 2007	79	2007
Solvent effects on Raman optical activity spectra calculated using the polarizable continuum model M Pecul, E Lamparska, C Cappelli, L Frediani, K Ruud The Journal of Physical Chemistry A 110 (8), 2807-2815, 2006	70	2006
Fully adaptive algorithms for multivariate integral equations using the non-standard form and multiwavelets with applications to the Poisson and bound-state Helmholtz kernels … L Frediani, E Fossgaard, T Flå, K Ruud Molecular Physics 111 (9-11), 1143-1160, 2013	62	2013
Second-harmonic generation of solvated molecules using multiconfigurational self-consistent-field quadratic response theory and the polarizable continuum model L Frediani, H Ågren, L Ferrighi, K Ruud The Journal of chemical physics 123 (14), 2005	62	2005
Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved SR Jensen, T Flå, D Jonsson, RS Monstad, K Ruud, L Frediani Physical Chemistry Chemical Physics 18 (31), 21145-21161, 2016	60	2016
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins MTP Beerepoot, AH Steindal, J Kongsted, BO Brandsdal, L Frediani, ... Physical Chemistry Chemical Physics 15 (13), 4735-4743, 2013	56	2013
Quantum-mechanical continuum solvation study of the polarizability of halides at the water/air interface L Frediani, B Mennucci, R Cammi The Journal of Physical Chemistry B 108 (36), 13796-13806, 2004	49	2004
Toward a general formulation of dispersion effects for solvation continuum models V Weijo, B Mennucci, L Frediani Journal of Chemical Theory and Computation 6 (11), 3358-3364, 2010	45	2010
An IEF-PCM study of solvent effects on the Faraday term of MCD H Solheim, L Frediani, K Ruud, S Coriani Theoretical Chemistry Accounts 119 (1), 231-244, 2008	37	2008
Two-photon absorption of [2.2] paracyclophane derivatives in solution: A theoretical investigation L Ferrighi, L Frediani, E Fossgaard, K Ruud The Journal of chemical physics 127 (24), 2007	37	2007

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