Pablo Jaque

Dr. Pablo Jaque


Research Focus & Metrics

Academic Career Length

30Years (1997-Present)

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

Representative Publications

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15 August 2002 in The Journal of Chemical Physics
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Journal Article
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PJPablo Jaque
Pablo Jaque
ATAlejandro Toro-Labbé
Alejandro Toro-Labbé
In this paper we study nine neutral copper clusters through the theoretical characterization of their molecular structures, binding energy, electronic properties, and reactivity descriptors. Geometry optimization and vibrational analysis were performed using density functional theory calculations with a hybrid functional combined with effective core potentials. It is shown that reactivity descriptors combined with reactivity principles like the minimum polarizability and maximum hardness are operative for characterizing and rationalizing the electronic properties of copper clusters.

1 September 2005 in Journal of Chemical Sciences
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Journal Article
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PPPeter Politzer
Peter Politzer
ATAlejandro Toro-Labbé
Alejandro Toro-Labbé
SGSoledad Gutiérrez-Oliva
Soledad Gutiérrez-Oliva
BHBarbara Herrera
Barbara Herrera
PJPablo Jaque
Pablo Jaque
JMJane S. Murray
Jane S. Murray

28 March 2007 in The Journal of Physical Chemistry C
Verified
Journal Article
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PJPablo Jaque
Pablo Jaque
AMAleksandr V. Marenich
Aleksandr V. Marenich
CCChristopher J. Cramer
Christopher J. Cramer
Donald TruhlarDonald Truhlar
Donald Truhlar

1 November 1999 in The Journal of Physical Chemistry A
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Journal Article
Closed access
PCPratim K. Chattaraj
Pratim K. Chattaraj
PFPatricio Fuentealba
Patricio Fuentealba
PJPablo Jaque
Pablo Jaque
ATAlejandro Toro-Labbé
Alejandro Toro-Labbé

11 July 2006 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
ERElizabeth Rincón
Elizabeth Rincón
PJPablo Jaque
Pablo Jaque
ATAlejandro Toro-Labbé
Alejandro Toro-Labbé

1 May 2008 in Chemical Physics Letters
Verified
Journal Article
Closed access
PJPablo Jaque
Pablo Jaque
ATAlejandro Toro-Labbé
Alejandro Toro-Labbé
PPPeter Politzer
Peter Politzer
PGPaul Geerlings
Paul Geerlings