Denis Jacquemin
Denis Jacquemin
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Citata da
Citata da
The calculations of excited-state properties with Time-Dependent Density Functional Theory
C Adamo, D Jacquemin
Chemical Society Reviews 42 (3), 845-856, 2013
Extensive TD-DFT benchmark: singlet-excited states of organic molecules
D Jacquemin, V Wathelet, EA Perpete, C Adamo
Journal of Chemical Theory and Computation 5 (9), 2420-2435, 2009
TD-DFT performance for the visible absorption spectra of organic dyes: conventional versus long-range hybrids
D Jacquemin, EA Perpete, GE Scuseria, I Ciofini, C Adamo
Journal of chemical theory and computation 4 (1), 123-135, 2008
TD‐DFT benchmarks: a review
AD Laurent, D Jacquemin
International Journal of Quantum Chemistry 113 (17), 2019-2039, 2013
Assessment of conventional density functional schemes for computing the dipole moment and (hyper) polarizabilities of push− pull π-conjugated systems
B Champagne, EA Perpète, D Jacquemin, SJA Van Gisbergen, ...
The Journal of Physical Chemistry A 104 (20), 4755-4763, 2000
Accurate simulation of optical properties in dyes
D Jacquemin, EA Perpete, I Ciofini, C Adamo
Accounts of chemical Research 42 (2), 326-334, 2009
On the performances of the M06 family of density functionals for electronic excitation energies
D Jacquemin, EA Perpete, I Ciofini, C Adamo, R Valero, Y Zhao, ...
Journal of chemical theory and computation 6 (7), 2071-2085, 2010
TD-DFT assessment of functionals for optical 0–0 transitions in solvated dyes
D Jacquemin, A Planchat, C Adamo, B Mennucci
Journal of chemical Theory and Computation 8 (7), 2359-2372, 2012
Enhanced efficiency of organic dye-sensitized solar cells: triphenylamine derivatives
J Preat, C Michaux, D Jacquemin, EA Perpete
The Journal of Physical Chemistry C 113 (38), 16821-16833, 2009
Assessment of the efficiency of long-range corrected functionals for some properties of large compounds
D Jacquemin, EA Perpète, G Scalmani, MJ Frisch, R Kobayashi, C Adamo
The Journal of chemical physics 126 (14), 144105, 2007
Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments
D Jacquemin, B Mennucci, C Adamo
Physical chemistry chemical physics 13 (38), 16987-16998, 2011
Multiphotochromic molecular systems
A Fihey, A Perrier, WR Browne, D Jacquemin
Chemical Society Reviews 44 (11), 3719-3759, 2015
What is the “best” atomic charge model to describe through-space charge-transfer excitations?
D Jacquemin, T Le Bahers, C Adamo, I Ciofini
Physical Chemistry Chemical Physics 14 (16), 5383-5388, 2012
Thioindigo dyes: highly accurate visible spectra with TD-DFT
D Jacquemin, J Preat, V Wathelet, M Fontaine, EA Perpète
Journal of the American Chemical Society 128 (6), 2072-2083, 2006
Dye chemistry with time-dependent density functional theory
AD Laurent, C Adamo, D Jacquemin
Physical Chemistry Chemical Physics 16 (28), 14334-14356, 2014
Through-space charge transfer in rod-like molecules: lessons from theory
I Ciofini, T Le Bahers, C Adamo, F Odobel, D Jacquemin
The Journal of Physical Chemistry C 116 (22), 11946-11955, 2012
Taking up the cyanine challenge with quantum tools
B Le Guennic, D Jacquemin
Accounts of chemical research 48 (3), 530-537, 2015
Choosing a functional for computing absorption and fluorescence band shapes with TD-DFT
A Charaf-Eddin, A Planchat, B Mennucci, C Adamo, D Jacquemin
Journal of chemical theory and computation 9 (6), 2749-2760, 2013
Assessment of functionals for TD-DFT calculations of Singlet− Triplet transitions
D Jacquemin, EA Perpète, I Ciofini, C Adamo
Journal of chemical theory and computation 6 (5), 1532-1537, 2010
First hyperpolarizability of polymethineimine with long-range corrected functionals
D Jacquemin, EA Perpète, M Medved’, G Scalmani, MJ Frisch, ...
The Journal of chemical physics 126 (19), 191108, 2007
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