-
1
المؤلفون: Carlo Adamo, Michael J. Frisch, Giovanni Scalmani, Alistar Ottochian, Ángel J. Pérez-Jiménez, Ilaria Ciofini, Juan Carlos Sancho-García, Éric Brémond
المساهمون: Universidad de Alicante. Departamento de Química Física, Química Cuántica
المصدر: Journal of Computational Chemistry
RUA. Repositorio Institucional de la Universidad de Alicante
Universidad de Alicante (UA)مصطلحات موضوعية: Physics, 010304 chemical physics, Molecular charge, Double-hybrid density functional, Charge-transfer excitation energies, Weakly bound complexes, General Chemistry, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Hybrid functional, Set (abstract data type), Computational Mathematics, Transfer (computing), Yield (chemistry), Reference values, 0103 physical sciences, Química Física, Statistical physics, TD-DFT, Excitation
-
2
المؤلفون: Polina Volovitch, Dmitry Kurchavov, Urmat Rustambek, Alistar Ottochian, Grégory Lefèvre, Antoine Seyeux, Ilaria Ciofini, Phillipe Marcus, Virginie Lair
المصدر: SSRN Electronic Journal.
مصطلحات موضوعية: History, Polymers and Plastics, Business and International Management, Industrial and Manufacturing Engineering
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::8d9b8add100d9ff76cd829c36daaa065
https://doi.org/10.2139/ssrn.4145288 -
3
المؤلفون: Carlo Adamo, C. Morgillo, Ilaria Ciofini, F.-A. Korsaye, Alistar Ottochian
المصدر: Theoretical Chemistry Accounts. 140
مصطلحات موضوعية: Physics, 010304 chemical physics, Series (mathematics), Electronic structure, 010402 general chemistry, Grid, 01 natural sciences, 0104 chemical sciences, Atomic orbital, Atomic electron transition, Excited state, 0103 physical sciences, Molecular orbital, Density functional theory, Statistical physics, Physical and Theoretical Chemistry
-
4
المؤلفون: Éric Brémond, Alistar Ottochian, Ángel José Pérez‐Jiménez, Ilaria Ciofini, Giovanni Scalmani, Michael J. Frisch, Juan Carlos Sancho‐García, Carlo Adamo
المصدر: Journal of Computational Chemistry. 42
مصطلحات موضوعية: Computational Mathematics, General Chemistry
-
5
المؤلفون: Bernardino Tirri, Jérôme Gomar, Ilaria Ciofini, Alistar Ottochian, Carlo Adamo, Gloria Mazzone, Umberto Raucci
المساهمون: Institute of Chemistry for Life and Health Sciences (iCLeHS), Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), L'Oréal Recherche France (L'Oréal Recherche), L'OREAL, Institut Universitaire de France (IUF), Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.)
المصدر: Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2021, 42 (15), pp.1054-1063. ⟨10.1002/jcc.26505⟩مصطلحات موضوعية: Materials science, 010304 chemical physics, Absorption spectroscopy, Monte Carlo method, [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], Sampling (statistics), General Chemistry, 010402 general chemistry, 01 natural sciences, Molecular physics, Spectral line, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Computational Mathematics, chemistry.chemical_compound, Molecular dynamics, chemistry, 0103 physical sciences, Potential energy surface, Molecule, Merocyanine
-
6
المؤلفون: Fabrice Goubard, Thanh-Tuan Bui, Alistar Ottochian, Mai-Phuong Nghiêm, Thierry Pauporté, Ilaria Ciofini, Maria Ulfa, Federica Maschietto
المصدر: Proceedings of the 3rd International Conference on Perovskite and Organic Photovoltaics and Optoelectronics.
مصطلحات موضوعية: Core (optical fiber), chemistry.chemical_compound, Materials science, chemistry, Carbazole, business.industry, Doping, Photovoltaic system, Optoelectronics, business, Perovskite (structure)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d47fe650cd0be3dbceac98657cdc4c5a
https://doi.org/10.29363/nanoge.iperop.2019.010 -
7
المؤلفون: Maria Ulfa, Federica Maschietto, Ilaria Ciofini, Fabrice Goubard, Mai-Phuong Nghiêm, Alistar Ottochian, Thanh-Tuân Bui, Thierry Pauporté
المساهمون: Laboratoire de Physico-chimie des Polymères et des Interfaces (LPPI), Fédération INSTITUT DES MATÉRIAUX DE CERGY-PONTOISE (I-MAT), Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine-Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine, Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL), Laboratoire d'Electrochimie, Chimie des Interfaces et Modélisation pour l'Energie (LECIME - UMR 7575) (LECIME), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)
المصدر: Organic Electronics
Organic Electronics, Elsevier, 2018, 60, pp.22-30. ⟨10.1016/j.orgel.2018.05.024⟩مصطلحات موضوعية: Materials science, Core (manufacturing), 02 engineering and technology, 010402 general chemistry, 01 natural sciences, 7. Clean energy, Organic molecules, Biomaterials, chemistry.chemical_compound, Materials Chemistry, Molecule, [CHIM]Chemical Sciences, Electrical and Electronic Engineering, ComputingMilieux_MISCELLANEOUS, Perovskite (structure), business.industry, Carbazole, Photovoltaic system, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, chemistry, Optoelectronics, 0210 nano-technology, business
-
8
المؤلفون: Alistar Ottochian, Armelle Ringuedé, Frédéric Labat, Carlo Adamo, Chiara Ricca, Michel Cassir
المصدر: The Journal of Physical Chemistry C. 120:12941-12951
مصطلحات موضوعية: Chemical substance, Chemistry, Oxide, Nanotechnology, 02 engineering and technology, Electrolyte, 010402 general chemistry, 021001 nanoscience & nanotechnology, Electrostatics, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Hybrid functional, chemistry.chemical_compound, General Energy, Chemical physics, Phase (matter), Density functional theory, Physical and Theoretical Chemistry, Diffusion (business), 0210 nano-technology
-
9
المؤلفون: Frédéric Labat, Chiara Ricca, Alistar Ottochian, Carlo Adamo
المصدر: Journal of molecular modeling. 22(3)
مصطلحات موضوعية: Inorganic chemistry, chemistry.chemical_element, Thermodynamics, Salt (chemistry), 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Catalysis, Inorganic Chemistry, chemistry.chemical_compound, Molecular dynamics, Ionic conductivity, Physical and Theoretical Chemistry, Diffusion (business), Molten salt, chemistry.chemical_classification, Organic Chemistry, 021001 nanoscience & nanotechnology, Thermal conduction, 0104 chemical sciences, Computer Science Applications, Computational Theory and Mathematics, chemistry, Ionic liquid, Lithium, 0210 nano-technology
-
10
المؤلفون: Guilhem Dezanneau, Clément Gilles, Christopher Knight, Paolo Raiteri, Alistar Ottochian, Julian D. Gale
المساهمون: Laboratoire Structures, Propriétés et Modélisation des solides (SPMS), Institut de Chimie du CNRS (INC)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS), Nanochemistry Research Institute [Perth], Curtin University [Perth], Planning and Transport Research Centre (PATREC)-Planning and Transport Research Centre (PATREC), Leadership computing faciility, Argonne National Laboratory, Argonne Laboratory
المصدر: Journal of Materials Chemistry A
Journal of Materials Chemistry A, Royal Society of Chemistry, 2014, 2, pp.3127. ⟨10.1039/c3ta12800h⟩مصطلحات موضوعية: Materials science, Condensed matter physics, Strain (chemistry), Proton, Renewable Energy, Sustainability and the Environment, Diffusion, Isotropy, General Chemistry, Conductivity, Thermal conduction, Molecular dynamics, Condensed Matter::Materials Science, Nuclear magnetic resonance, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], General Materials Science, Symmetry breaking
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f6d58b3274f63a3ebafdfb53dad761b
https://hal.archives-ouvertes.fr/hal-01052927
Find this article in full text from Springer Verlag. 
Find this issue from the American Chemical Society