Carlo Adamo - RankMe

23 papers Journal 23

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	Concerted versus stepwise proton transfer reactions in the [2, 2′-bipyridyl]-3-3′-diol molecule: A static and dynamic ab-initio investigation. J. Comput. Chem. Lorenzo Briccolani-Bandini, Éric Brémond, Marco Pagliai, Gianni Cardini, Ilaria Ciofini, Carlo Adamo
2021	J	`jnl`	A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study. J. Comput. Chem. Bernardino Tirri, Gloria Mazzone, Alistar Ottochian, Jérôme Gomar, Umberto Raucci, Carlo Adamo, Ilaria Ciofini
2021	J	`jnl`	Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. J. Comput. Chem. Éric Brémond, Alistar Ottochian, Ángel J. Pérez-Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J. Frisch, Juan Carlos Sancho-García, Carlo Adamo
2021	J	`jnl`	Cover Image. J. Comput. Chem. Éric Brémond, Alistar Ottochian, Ángel J. Pérez-Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J. Frisch, Juan Carlos Sancho-García, Carlo Adamo
2020	J	`jnl`	Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states. J. Comput. Chem. Alistar Ottochian, Carmela Morgillo, Ilaria Ciofini, Michael J. Frisch, Giovanni Scalmani, Carlo Adamo
2019	J	`jnl`	Photophysical properties of fluorescent imaging biological probes of nucleic acids: SAC-CI and TD-DFT Study. J. Comput. Chem. Takafumi Shiraogawa, Gaëlle Candel, Ryoichi Fukuda, Ilaria Ciofini, Carlo Adamo, Akimitsu Okamoto, Masahiro Ehara
2018	J	`jnl`	B, N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations. J. Comput. Chem. Chiara Ricca, Frédéric Labat, Claudia Zavala, Nino Russo, Carlo Adamo, Gabriel Merino, Emilia Sicilia
2018	J	`jnl`	How are the charge transfer descriptors affected by the quality of the underpinning electronic density? J. Comput. Chem. Federica Maschietto, Marco Campetella, Michael J. Frisch, Giovanni Scalmani, Carlo Adamo, Ilaria Ciofini
2017	J	`jnl`	Charge transfer excitations in TDDFT: A ghost-hunter index. J. Comput. Chem. Marco Campetella, Federica Maschietto, Mike J. Frisch, Giovanni Scalmani, Ilaria Ciofini, Carlo Adamo
2017	J	`jnl`	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. J. Comput. Chem. Marika Savarese, Umberto Raucci, Ryoichi Fukuda, Carlo Adamo, Masahiro Ehara, Nadia Rega, Ilaria Ciofini
2017	J	`jnl`	Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals. J. Comput. Chem. Juan Carlos Sancho-García, Ángel J. Pérez-Jiménez, Marika Savarese, Éric Brémond, Carlo Adamo
2017	J	`jnl`	Theoretical approaches for predicting the color of rigid dyes in solution. J. Comput. Chem. Stefania Di Tommaso, Diane Bousquet, Delphine Moulin, Frédéric Baltenneck, Priscilla Riva, Hervé David, Aziz Fadli, Jérôme Gomar, Ilaria Ciofini, Carlo Adamo
2016	J	`jnl`	Modeling emission features of salicylidene aniline molecular crystals: A QM/QM' approach. J. Comput. Chem. Davide Presti, Frédéric Labat, Alfonso Pedone, Michael J. Frisch, Hrant P. Hratchian, Ilaria Ciofini, Maria Cristina Menziani, Carlo Adamo
2015	J	`jnl`	A comprehensive DFT investigation of bulk and low-index surfaces of ZrO J. Comput. Chem. Chiara Ricca, Armelle Ringuedé, Michel Cassir, Carlo Adamo, Frédéric Labat
2013	J	`jnl`	Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculations. J. Comput. Chem. Masahiro Ehara, Ryoichi Fukuda, Carlo Adamo, Ilaria Ciofini
2011	J	`jnl`	Role of nonlocal exchange in molecular crystals: The case of two proton-ordered phases of ice. J. Comput. Chem. Frédéric Labat, Claude Pouchan, Carlo Adamo, Gustavo E. Scuseria
2010	J	`jnl`	How the choice of a computational model could rule the chemical interpretation: The Ni(II) catalyzed ethylene dimerization as a case study. J. Comput. Chem. Vincent Tognetti, Pascal Le Floch, Carlo Adamo
2008	J	`jnl`	Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals. J. Comput. Chem. Denis Jacquemin, Eric A. Perpète, Ilaria Ciofini, Carlo Adamo
2008	J	`jnl`	Vibrational versus electronic isotropic polarizability and first hyperpolarizability of a series of cis - Ru (II) - bipyridine complexes: A non-empirical investigation. J. Comput. Methods Sci. Eng. Maammar Rekhis, Amar Saal, Carlo Adamo, Ourida Ouamerali
2003	J	`jnl`	Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexes. J. Comput. Chem. Valentina Vetere, Pascale Maldivi, Carlo Adamo
2000	J	`jnl`	Structures and properties of lanthanide and actinide complexes by a new density functional approach: Lanthanum, gadolinium, lutetium, and thorium halides as case studies. J. Comput. Chem. Carlo Adamo, Vincenzo Barone
1998	J	`jnl`	Implementation and validation of the Lacks-Gordon exchange functional in conventional density functional and adiabatic connection methods. J. Comput. Chem. Carlo Adamo, Vincenzo Barone
1994	J	`jnl`	Modulation of Intramolecular Proton Transfer by Electronic Excitation and Environment: 2-Pyridone as a Case Study. J. Comput. Chem. Vincenzo Barone, Carlo Adamo