| The calculations of excited-state properties with Time-Dependent Density Functional Theory C Adamo, D Jacquemin Chemical Society Reviews 42 (3), 845-856, 2013 | 1254 | 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 | 979 | 2009 |
| TD‐DFT benchmarks: a review AD Laurent, D Jacquemin International Journal of Quantum Chemistry 113 (17), 2019-2039, 2013 | 880 | 2013 |
| 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 | 804 | 2008 |
| 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 | 554 | 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 | 471 | 2009 |
| 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 | 401 | 2012 |
| 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 | 388 | 2010 |
| 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 | 345 | 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 | 316 | 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 | 298 | 2011 |
| Multiphotochromic molecular systems A Fihey, A Perrier, WR Browne, D Jacquemin Chemical Society Reviews 44 (11), 3719-3759, 2015 | 290 | 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 | 278 | 2012 |
| Dye chemistry with time-dependent density functional theory AD Laurent, C Adamo, D Jacquemin Physical Chemistry Chemical Physics 16 (28), 14334-14356, 2014 | 274 | 2014 |
| 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 | 248 | 2006 |
| Taking up the cyanine challenge with quantum tools B Le Guennic, D Jacquemin Accounts of chemical research 48 (3), 530-537, 2015 | 229 | 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 | 223 | 2013 |
| 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 | 221 | 2012 |
| 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 | 202 | 2010 |
| 0–0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds D Jacquemin, I Duchemin, X Blase Journal of chemical theory and computation 11 (11), 5340-5359, 2015 | 197 | 2015 |
carlo adamoENSCP - Chimie ParistechПодтвержден адрес электронной почты в домене chimie-paristech.fr
