Theo dõi
Luca De Vico
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
MOLCAS 7: the next generation
F Aquilante, L De Vico, N Ferré, G Ghigo, P Malmqvist, P Neogrády, ...
Journal of computational chemistry 31 (1), 224-247, 2010
17542010
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
15372016
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
4162020
Fdez
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Galván, I, 506-541, 0
261
Chemiluminescence of 1, 2-dioxetane. Reaction mechanism uncovered
L De Vico, YJ Liu, JW Krogh, R Lindh
The Journal of Physical Chemistry A 111 (32), 8013-8019, 2007
1502007
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 19 (20), 6933-6991, 2023
1482023
New general tools for constrained geometry optimizations
L De Vico, M Olivucci, R Lindh
Journal of Chemical Theory and Computation 1 (5), 1029-1037, 2005
1192005
Theoretical study of the chemiluminescent decomposition of dioxetanone
F Liu, Y Liu, L De Vico, R Lindh
Journal of the American Chemical Society 131 (17), 6181-6188, 2009
1152009
A Fast Photoswitch for Minimally Perturbed Peptides:  Investigation of the trans → cis Photoisomerization of N-Methylthioacetamide
J Helbing, H Bregy, J Bredenbeck, R Pfister, P Hamm, R Huber, ...
Journal of the American Chemical Society 126 (28), 8823-8834, 2004
1042004
Reaction path analysis of the “tunable” photoisomerization selectivity of free and locked retinal chromophores
L De Vico, CS Page, M Garavelli, F Bernardi, R Basosi, M Olivucci
Journal of the American Chemical Society 124 (15), 4124-4134, 2002
892002
Effects of buffer composition and dilution on nanowire field-effect biosensors
N Lloret, RS Frederiksen, TC Møller, NI Rieben, S Upadhyay, L De Vico, ...
Nanotechnology 24 (3), 035501, 2012
682012
Ab initio investigation on the chemical origin of the firefly bioluminescence
YJ Liu, L De Vico, R Lindh
Journal of Photochemistry and Photobiology A: Chemistry 194 (2-3), 261-267, 2008
682008
Fdez. Galván, I.; Ferré, N.; Frutos, LM; Gagliardi, L
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Molcas 8, 506-541, 2016
672016
A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation
F Liu, Y Liu, L De Vico, R Lindh
Chemical Physics Letters 484 (1-3), 69-75, 2009
572009
A theoretical study of singlet low-energy excited states of the benzene dimer
T Rocha-Rinza, L De Vico, V Veryazov, BO Roos
Chemical physics letters 426 (4-6), 268-272, 2006
572006
a-ARM: Automatic Rhodopsin Modeling with Chromophore Cavity Generation, Ionization State Selection, and External Counterion Placement
L Pedraza-González, L De Vico, MC Marı́n, F Fanelli, M Olivucci
Journal of chemical theory and computation 15 (5), 3134-3152, 2019
532019
Quantifying signal changes in nano-wire based biosensors
L De Vico, MH Sørensen, L Iversen, DM Rogers, BS Sørensen, ...
Nanoscale 3 (2), 706-717, 2011
462011
Multireference excitation energies for bacteriochlorophylls a within light harvesting system 2
A Anda, T Hansen, L De Vico
Journal of Chemical Theory and Computation 12 (3), 1305-1313, 2016
452016
Predicting and rationalizing the effect of surface charge distribution and orientation on nano-wire based FET bio-sensors
L De Vico, L Iversen, MH Sørensen, M Brandbyge, J Nygård, KL Martinez, ...
Nanoscale 3 (9), 3635-3640, 2011
432011
Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory
PB Coto, A Sinicropi, L De Vico, N Ferre, M Olivucci
Molecular Physics 104 (5-7), 983-991, 2006
432006
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