Articoli con mandati relativi all'accesso pubblico - carlo adamoUlteriori informazioni
Non disponibili pubblicamente: 34
Performance of an optimally tuned range-separated hybrid functional for 0–0 electronic excitation energies
D Jacquemin, B Moore, A Planchat, C Adamo, J Autschbach
Journal of Chemical Theory and Computation 10 (4), 1677-1685, 2014
Mandati: European Commission
Electronic excitations in solution: the interplay between state specific approaches and a time-dependent density functional theory description
CA Guido, D Jacquemin, C Adamo, B Mennucci
Journal of chemical theory and computation 11 (12), 5782-5790, 2015
Mandati: European Commission
Charge transfer excitations in TDDFT: A ghost‐hunter index
M Campetella, F Maschietto, MJ Frisch, G Scalmani, I Ciofini, C Adamo
Journal of Computational Chemistry 38 (25), 2151-2156, 2017
Mandati: European Commission
Computational protocol for modeling thermochromic molecular crystals: salicylidene aniline as a case study
D Presti, F Labat, A Pedone, MJ Frisch, HP Hratchian, I Ciofini, ...
Journal of chemical theory and computation 10 (12), 5577-5585, 2014
Mandati: Governo Italiano
Theoretical investigation of hole transporter materials for energy devices
D Alberga, GF Mangiatordi, F Labat, I Ciofini, O Nicolotti, G Lattanzi, ...
The Journal of Physical Chemistry C 119 (42), 23890-23898, 2015
Mandati: Governo Italiano
Electronic band shapes calculated with optimally tuned range-separated hybrid functionals
B Moore, A Charaf-Eddin, A Planchat, C Adamo, J Autschbach, ...
Journal of Chemical Theory and Computation 10 (10), 4599-4608, 2014
Mandati: European Commission
Metrics for molecular electronic excitations: A comparison between orbital-and density-based descriptors
M Savarese, CA Guido, E Bremond, I Ciofini, C Adamo
The Journal of Physical Chemistry A 121 (40), 7543-7549, 2017
Mandati: European Commission
Intrinsic and dynamical reaction pathways of an excited state proton transfer
U Raucci, M Savarese, C Adamo, I Ciofini, N Rega
The Journal of Physical Chemistry B 119 (6), 2650-2657, 2015
Mandati: Governo Italiano
Synergistic Effects of Metals in a Promising RuII−PtII Assembly for a Combined Anticancer Approach: Theoretical Exploration of the Photophysical Properties
ME Alberto, N Russo, C Adamo
Chemistry–A European Journal 22 (27), 9162-9168, 2016
Mandati: European Commission
Benchmark study on the triplet excited-state geometries and phosphorescence energies of heterocyclic compounds: comparison between TD-PBE0 and SAC-CI
D Bousquet, R Fukuda, D Jacquemin, I Ciofini, C Adamo, M Ehara
Journal of Chemical Theory and Computation 10 (9), 3969-3979, 2014
Mandati: European Commission
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?
F Maschietto, M Campetella, MJ Frisch, G Scalmani, C Adamo, I Ciofini
Journal of Computational Chemistry 39 (12), 735-742, 2018
Mandati: European Commission
Confinement effects on UV–visible absorption spectra: β-carotene inside carbon nanotube as a test case
G Garcia, I Ciofini, M Fernandez-Gomez, C Adamo
The Journal of Physical Chemistry Letters 4 (8), 1239-1243, 2013
Mandati: Government of Spain
Optoeletronic properties of poly (N‐alkenyl‐carbazole) s driven by polymer stereoregularity
A Botta, C Costabile, V Venditto, S Pragliola, R Liguori, A Rubino, ...
Journal of Polymer Science Part A: Polymer Chemistry 56 (2), 242-251, 2018
Mandati: Governo Italiano
Nucleophilicities and Lewis basicities of sterically hindered pyridines
E Follet, H Zipse, S Lakhdar, AR Ofial, G Berionni
Synthesis 49 (15), 3495-3504, 2017
Mandati: German Research Foundation
Anti-inflammatory and anti-HIV compounds from Swertia bimaculata
M Dong, LQ Quan, WF Dai, SL Yan, CH Chen, XQ Chen, RT Li
Planta Medica 83 (17), 1368-1373, 2017
Mandati: National Natural Science Foundation of China
Small basis set allowing the recovery of dispersion interactions with double-hybrid functionals
JS Garcı́a, E Bremond, M Campetella, I Ciofini, C Adamo
Journal of Chemical Theory and Computation 15 (5), 2944-2953, 2019
Mandati: European Commission
Semiconducting and optical properties of selected binary compounds by linear response DFT+ U and hybrid functional methods
R Gaspari, F Labat, L Manna, C Adamo, A Cavalli
Theoretical Chemistry Accounts 135, 1-6, 2016
Mandati: Governo Italiano
22π-Electrons [1.1. 1.1. 1] pentaphyrin as a new photosensitizing agent for water disinfection: Experimental and theoretical characterization
ME Alberto, C Comuzzi, M Thandu, C Adamo, N Russo
Theoretical Chemistry Accounts 135, 1-10, 2016
Mandati: European Commission
Comparing the performance of TD‐DFT and SAC‐CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study
M Savarese, U Raucci, R Fukuda, C Adamo, M Ehara, N Rega, I Ciofini
Journal of Computational Chemistry 38 (14), 1084-1092, 2017
Mandati: European Commission
Unveiling the reactivity of a synthetic mimic of the oxygen evolving complex
U Raucci, I Ciofini, C Adamo, N Rega
The Journal of Physical Chemistry Letters 7 (24), 5015-5021, 2016
Mandati: Governo Italiano
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