Juan Sanz García

Dr. Juan Sanz García


Research Focus & Metrics

Academic Career Length

15Years (2012-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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29 October 2016 in Journal of Molecular Modeling
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Journal Article
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JGJuan SANZ GARCIA
Juan SANZ GARCIA
FAFabienne Alary
Fabienne Alary
MBMartial Boggio-Pasqua
Martial Boggio-Pasqua
IDIsabelle M. Dixon
Isabelle M. Dixon
JHJean-Louis Heully
Jean-Louis Heully

14 August 2015 in Inorganic Chemistry
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Journal Article
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JGJuan SANZ GARCIA
Juan SANZ GARCIA
FAFabienne Alary
Fabienne Alary
MBMartial Boggio-Pasqua
Martial Boggio-Pasqua
IDIsabelle M. Dixon
Isabelle M. Dixon
IMIsabelle Malfant
Isabelle Malfant
JHJean-Louis Heully
Jean-Louis Heully

12 April 2019 in Angewandte Chemie International Edition
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Yong WangYong Wang
Yong Wang
PPPascal Pigeon
Pascal Pigeon
STSiden Top
Siden Top
JGJuan SANZ GARCIA
Juan SANZ GARCIA
CTClaire Troufflard
Claire Troufflard
GJGérard Jaouen
Gérard Jaouen

25 May 2021 in The Journal of Chemical Physics
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FMFederica Maschietto
Federica Maschietto
MCMarco Campetella
Marco Campetella
JGJuan SANZ GARCIA
Juan SANZ GARCIA
CACarlo Adamo
Carlo Adamo
ICIlaria Ciofini
Ilaria Ciofini
Transition Metal Complexes (TMCs) are known for the rich variety of their excited states showing different nature and degrees of locality. Describing the energies of these excited states with the same degree of accuracy is still problematic when using time-dependent density functional theory in conjunction with the most current density functional approximations. In particular, the presence of unphysically low lying excited states possessing a relevant Charge Transfer (CT) character may significantly affect the spectra computed at such a level of theory and, more relevantly, the interpretation of their photophysical behavior. In this work, we propose an improved version of the MAC index, recently proposed by the authors and collaborators, as a simple and computationally inexpensive diagnostic tool that can be used for the detection and correction of the unphysically predicted low lying excited states. The analysis, performed on five prototype TMCs, shows that spurious and ghost states can appear in a wide spectral range and that it is difficult to detect them only on the basis of their CT extent. Indeed, both delocalization of the excited state and CT extent are criteria that must be combined, as in the MAC index, to detect unphysical states.

28 March 2019 in Journal of Chemical Theory and Computation
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Journal Article
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JGJuan SANZ GARCIA
Juan SANZ GARCIA
ÉBÉric Brémond
Éric Brémond
MCMarco Campetella
Marco Campetella
ICIlaria Ciofini
Ilaria Ciofini
CACarlo Adamo
Carlo Adamo

1 February 2012 in Journal of Fluorine Chemistry
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Journal Article
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VDVincent Diemer
Vincent Diemer
JGJuan SANZ GARCIA
Juan SANZ GARCIA
FLFrederic Leroux
Frederic Leroux
FCFrançoise Colobert
Françoise Colobert