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L. De Vico · SciRah

Researcher profile · Semantic Scholar

L. De Vico

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L. De Vico — researcher profile on SciRah

h-index: 21
Works: 48
Citations: 4,514

Most-cited papers

MOLCAS 7: The Next Generation
F. Aquilante, L. De Vico, Nicolas Ferré, Giovanni Ghigo +10 more
2010Journal of Computational Chemistry1,394 citations
Semantic Scholar
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F. Aquilante, J. Autschbach, Rebecca K. Carlson, L. Chibotaru +34 more
2016Journal of Computational Chemistry1,281 citations Open access
Semantic Scholar
Modern quantum chemistry with [Open]Molcas.
F. Aquilante, J. Autschbach, Alberto Baiardi, S. Battaglia +35 more
2020Journal of Chemical Physics387 citations Open access
Semantic Scholar
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, A. Alavi, F. Aleotti +104 more
2023Journal of Chemical Theory and Computation351 citations Open access
Semantic Scholar
Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered.
L. De Vico, Ya-Jun Liu, J. Krogh, R. Lindh
2007Journal of Physical Chemistry A106 citations
Semantic Scholar
Theoretical study of the chemiluminescent decomposition of dioxetanone.
Feng-Yi Liu, Ya-Jun Liu, L. De Vico, R. Lindh
2009Journal of the American Chemical Society98 citations
Semantic Scholar
New General Tools for Constrained Geometry Optimizations.
L. De Vico, M. Olivucci, R. Lindh
2005Journal of Chemical Theory and Computation83 citations
Semantic Scholar
A fast photoswitch for minimally perturbed peptides: investigation of the trans-->cis photoisomerization of N-methylthioacetamide.
J. Helbing, Harald Bregy, J. Bredenbeck, R. Pfister +5 more
2004Journal of the American Chemical Society68 citations
Semantic Scholar
Reaction path analysis of the "tunable" photoisomerization selectivity of free and locked retinal chromophores.
L. De Vico, C. S. Page, M. Garavelli, F. Bernardi +2 more
2002Journal of the American Chemical Society56 citations
Semantic Scholar
Ab initio investigation on the chemical origin of the firefly bioluminescence
Ya-Jun Liu, L. De Vico, R. Lindh
200855 citations
Semantic Scholar
a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement
Laura Pedraza-González, L. De Vico, M. del Carmen Marín, F. Fanelli +1 more
2019Journal of Chemical Theory and Computation53 citations Open access
Semantic Scholar
A theoretical study of singlet low-energy excited states of the benzene dimer
T. Rocha-Rinza, L. De Vico, V. Veryazov, B. Roos
200651 citations
Semantic Scholar
Frontiers in Multiscale Modeling of Photoreceptor Proteins
M. Mroginski, Suliman Adam, Gil S Amoyal, Avishai Barnoy +35 more
2020Photochemistry and Photobiology40 citations Open access
Semantic Scholar
Multireference Excitation Energies for Bacteriochlorophylls A within Light Harvesting System 2.
André Anda, Thorsten Hansen, L. De Vico
2016Journal of Chemical Theory and Computation40 citations Open access
Semantic Scholar
Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory
P. B. Coto, A. Sinicropi, L. De Vico, Nicolas Ferré +1 more
200638 citations
Semantic Scholar
Macrocycle ring deformation as the secondary design principle for light-harvesting complexes
L. De Vico, André Anda, V. Al. Osipov, A. Madsen +1 more
2018Proceedings of the National Academy of Sciences of the United States of America28 citations Open access
Semantic Scholar
Absorption and Fluorescence Lineshape Theory for Polynomial Potentials.
André Anda, L. De Vico, Thorsten Hansen, D. Abramavičius
2016Journal of Chemical Theory and Computation28 citations Open access
Semantic Scholar
Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane.
Ya-Jun Liu, L. De Vico, R. Lindh, Wei-Hai Fang
2007ChemPhysChem26 citations
Semantic Scholar
On the fluorescence enhancement of arch neuronal optogenetic reporters
L. Barneschi, Emanuele Marsili, Laura Pedraza-González, Daniele Padula +7 more
2022Nature Communications25 citations Open access
Semantic Scholar
Intermolecular Modes between LH2 Bacteriochlorophylls and Protein Residues: The Effect on the Excitation Energies.
André Anda, L. De Vico, Thorsten Hansen
2017Journal of Physical Chemistry B23 citations Open access
Semantic Scholar
Photoisomerization mechanism of 11-cis-locked artificial retinal chromophores: acceleration and primary photoproduct assignment.
L. De Vico, M. Garavelli, F. Bernardi, M. Olivucci
2005Journal of the American Chemical Society23 citations
Semantic Scholar
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence.
L. Pedraza-González, L. Barneschi, M. Marszałek, Daniele Padula +2 more
2022Journal of Chemical Theory and Computation21 citations
Semantic Scholar
Single-molecule force-conductance spectroscopy of hydrogen-bonded complexes
Alessandro Pirrotta, L. De Vico, G. Solomon, I. Franco
201721 citations
Semantic Scholar
Q y and Q x Absorption Bands for Bacteriochlorophyll a Molecules from LH2 and LH3.
André Anda, Thorsten Hansen, L. De Vico
2019Journal of Physical Chemistry A19 citations
Semantic Scholar
Hypothesis on Serenoa repens (Bartram) small extract inhibition of prostatic 5α-reductase through an in silico approach on 5β-reductase x-ray structure
P. Governa, D. Giachetti, M. Biagi, F. Manetti +1 more
2016PeerJ19 citations Open access
Semantic Scholar
Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol
Laura Pedraza-González, L. Barneschi, Daniele Padula, L. De Vico +1 more
2022Topics in current chemistry18 citations Open access
Semantic Scholar
Two-State Three-Mode Parameterization of the Force Field of a Retinal Chromophore Model
Emanuele Marsili, M. Farag, Xuchun Yang, L. De Vico +1 more
2019Journal of Physical Chemistry A18 citations Open access
Semantic Scholar
Web-ARM: a Web-Based Interface for the Automatic Construction of QM/MM Models of Rhodopsins
L. Pedraza-González, M. del Carmen Marín, A. Jorge, T. Ruck +4 more
2020Journal of Chemical Information and Modeling16 citations Open access
Semantic Scholar
Assessment of MC-PDFT excitation energies for a set of QM/MM models of rhodopsins
M. del Carmen Marín, L. De Vico, Sijia S Dong, L. Gagliardi +2 more
2019Journal of Chemical Theory and Computation16 citations Open access
Semantic Scholar
A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates.
Andy Kaiser, Razan E Daoud, F. Aquilante, O. Kühn +2 more
2023Journal of Chemical Theory and Computation15 citations Open access
Semantic Scholar
In silico screening of 393 mutants facilitates enzyme engineering of amidase activity in CalB
Martin R. Hediger, L. De Vico, J. B. Rannes, C. Jäckel +3 more
2012PeerJ14 citations Open access
Semantic Scholar
Boron Subphthalocyanine Based Molecular Triad Systems for the Capture of Solar Energy.
F. E. Storm, Stine T. Olsen, Thorsten Hansen, L. De Vico +3 more
2016Journal of Physical Chemistry A12 citations
Semantic Scholar
A computational method for the systematic screening of reaction barriers in enzymes: searching for Bacillus circulans xylanase mutants with greater activity towards a synthetic substrate
Martin R. Hediger, Casper Steinmann, L. De Vico, J. H. Jensen
2013PeerJ11 citations Open access
Semantic Scholar
Iron(III) complexing ability of new ligands based on natural γ-pyrone maltol
S. Fusi, M. Frosini, M. Biagi, K. Zór +4 more
2020Polyhedron9 citations Open access
Semantic Scholar
Circularly Polarized Luminescence from an Inverted Singlet-Triplet Chiral Dye.
Alessandro Altinier, E. Machalska, Ilaria Fortunati, Melvin Raulin +8 more
2025Journal of the American Chemical Society8 citations
Semantic Scholar
Toward a computational photobiology
A. Sinicropi, T. Andruniów, L. De Vico, Nicolas Ferré +1 more
20058 citations Open access
Semantic Scholar
On the Automatic Construction of QM/MM Models for Biological Photoreceptors: Rhodopsins as Model Systems
L. Pedraza-González, María Del Carmen Marín, L. De Vico, Xuchun Yang +1 more
20207 citations
Semantic Scholar
Molcas 8: MOLCAS 8: New Capabilities for Multiconﬁgurational Quantum Chemical Calculations across the Periodic Table.
F. Aquilante, J. Autschbach, Rebecca K. Carlson, L. Chibotaru +36 more
20156 citations
Semantic Scholar
Location of Two Seams in the Proximity of the C2v ππ* Minimum Energy Path of Formaldehyde.
L. De Vico, R. Lindh
2009Journal of Chemical Theory and Computation6 citations
Semantic Scholar
A Multireference View of Photosynthesis: Uncovering Significant Site Energy Variations among Isolated Photosystem II Reaction Center Chlorophylls
L. Sorensen, L. De Vico, Thorsten E. Hansen
2024ACS Omega4 citations Open access
Semantic Scholar
Multiconfigurational Excitonic Couplings in Homo- and Heterodimer Stacks of Azobenzene-Derived Dyes
Razan E Daoud, Roberto Cacciari, L. De Vico
2024Journal of Physical Chemistry A2 citations Open access
Semantic Scholar
BioFET-SIM: A Tool for the Analysis and Prediction of Signal Changes in Nanowire-Based Field Effect Transistor Biosensors
Martin R. Hediger, Karen L. Martinez, J. Nygård, M. Brandbyge +2 more
20132 citations
Semantic Scholar
On the Role of Electronic Correlation and State‐Specific Environment Polarization in Singlet–Triplet Gap Inversion
Ester Salvi, G. Agostini, Simone Veglianti, Gustavo Juliani Costa +3 more
2025Journal of Computational Chemistry1 citations Open access
Semantic Scholar
Computational Design of (B)Chl Models: Structural and Chemical Modifications toward Enriched Properties.
Razan E Daoud, A. Orlando, A. Rampino, Matteo Tretti +4 more
2024Journal of Physical Chemistry B1 citations
Semantic Scholar
The minimal model of light harvesting complex with dipole-quadrupole interaction derived from ab initio calculation
V. Al. Osipov, L. De Vico, André Anda, Thorsten Hansen
20171 citations
Semantic Scholar
Tunable Spectral Properties and Excitonic Couplings of Bacteriochlorophyll-like Dimer Aggregates.
Razan E Daoud, Emanuela Cetrullo, L. De Vico
2025Journal of Physical Chemistry B0 citations Open access
Semantic Scholar
CT4OPTO BOOK OF ABSTRACTS
L. Pedraza-González, L. Barneschi, M. Marszałek, A. Valentini +4 more
20210 citations
Semantic Scholar
PNAS Plus Significance Statements
Kinjal Dasbiswas, K. Mandadapu, Fangda Xu, Tom Keyes +9 more
2018Proceedings of the National Academy of Sciences of the United States of America0 citations Open access
Semantic Scholar

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