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A

Alistar Ottochian

Universite Paris Cite

14H-index
31Paper Count
759Citation Count
Published Papers 13
Publication Date
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Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-02-27
err2
errOAAI
errLi, Hanwei; Kermani, Maryam Mansoori; Ottochian, Alistar; Crescenzi, Orlando; Janesko, Benjamin G.; Truhlar, Donald G.; Scalmani, Giovanni; Frisch, Michael J.; Ciofini, Ilaria; Adamo, Carlo
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Influence of PEG-containing cation on molecular state of water in water-Acetate based ionic liquids mixtures
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-12-01
err4
errOAAI
errKurchavov, D.; Rustambek, U.; Haddad, M.; Ottochian, A.; Lefevre, G.; Ciofini, I.; Lair, V.; Volovitch, P.
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Synergistic effect of ionic liquid (IL) cation and anion inhibits negative difference effect on Mg in water- IL mixtures
errCORROSION SCIENCE
IF8.5
err2022-12-01
err2
errOAAI
errKurchavov, D.; Rustambek, U.; Ottochian, A.; Seyeux, A.; Ciofini, I.; Marcus, P.; Lair, V.; Volovitch, P.
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A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-04-02
err12
errOAAI
errTirri, Bernardino; Mazzone, Gloria; Ottochian, Alistar; Gomar, Jerome; Raucci, Umberto; Adamo, Carlo; Ciofini, Ilaria
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Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-03-21
err32
errOAAI
errBremond, Eric; Ottochian, Alistar; Perez-Jimenez, Angel Jose; Ciofini, Ilaria; Scalmani, Giovanni; Frisch, Michael J.; Sancho-Garcia, Juan Carlos; Adamo, Carlo
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Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-02-19
err50
errOAAI
errOttochian, Alistar; Morgillo, Carmela; Ciofini, Ilaria; Frisch, Michael J.; Scalmani, Giovanni; Adamo, Carlo
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Defect Formation and Diffusion on the (001) Surface of LiKCO3 for Fuel Cell Applications: Insight from Hybrid DFT
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2016-06-08
err7
PREAI
errRicca, Chiara; Ringuede, Armelle; Cassir, Michel; Ottochian, Alistar; Adamo, Carlo; Labat, Frederic
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Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: a reactive molecular dynamics study
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2014-01-01
err20
errOAAI
errOttochian, Alistar; Dezanneau, Guilhem; Gilles, Clement; Raiteri, Paolo; Knight, Chris; Gale, Julian D.
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Role of steric and electrostatic effects in the short-range order of quasitetrahedral molecular liquids
errPHYSICAL REVIEW B
IF3.7
err2012-01-20
err24
PREAI
errPothoczki, Sz; Ottochian, A.; Rovira-Esteva, M.; Pardo, L. C.; Tamarit, J. Ll.; Cuello, G. J.
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Universal scaling between structural relaxation and caged dynamics in glass-forming systems: Free volume and time scales
errJOURNAL OF NON-CRYSTALLINE SOLIDS
IF3.5
err2011-01-01
err61
PREAI
errOttochian, A.; Leporini, D.
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Connectivity effects in the segmental self- and cross-reorientation of unentangled polymer melts
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-11-06
err4
errOAAI
errOttochian, A.; Molin, D.; Barbieri, A.; Leporini, D.
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Universal scaling between structural relaxation and vibrational dynamics in glass-forming liquids and polymers
errNATURE PHYSICS
IF18.4
err2007-12-02
err290
errOAAI
errLarini, L.; Ottochian, A.; De Michele, C.; Leporini, D.
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Excluded-volume corrections to the single-chain static properties of a polymer melt: Temperature, density and potential effects
errJOURNAL OF NON-CRYSTALLINE SOLIDS
IF3.5
err2007-11-01
err1
PREAI
errOttochian, A.; Leporini, D.
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Research Directions

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Co-authors
Cooperation Journals
D
Donald G. Truhlar
H-index: 187 · Papers: 1.9K
M
Michael J. Frisch
H-index: 98 · Papers: 354
C
Carlo Adamo
H-index: 87 · Papers: 583
P
Philippe Marcus
H-index: 83 · Papers: 685
J
Julian D. Gale
H-index: 77 · Papers: 448
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