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Journal of the American Chemical Society|February 12, 2004
The structure and stability of biological metaphosphate, phosphate, and phosphorane compounds in the gas phase and in solutionKevin Range, Matthew J McGrath, Xabier Lopez, et al.The Journal of Physical Chemistry. B|May 12, 2010
Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexesElena Formoso, Jon M Matxain, Xabier Lopez, et al.The Journal of Physical Chemistry. B|July 28, 2006
Reaction mechanism of the acidic hydrolysis of highly twisted amides: Rate acceleration caused by the twist of the amide bondJon I Mujika, Elena Formoso, Jose M Mercero, et al.Journal of Inorganic Biochemistry|September 9, 2015
Aluminum and its effect in the equilibrium between folded/unfolded conformation of NADHElena Formoso, Jon I Mujika, Slawomir J Grabowski, et al.The Journal of Chemical Physics|March 1, 2023
Outstanding improvement in removing the delocalization error by global natural orbital functionalJuan Felipe Huan Lew-Yee, Mario Piris, Jorge M Del CampoThe Journal of Chemical Physics|February 16, 2021
Resolution of the identity approximation applied to PNOF correlation calculationsJuan Felipe Huan Lew-Yee, Mario Piris, Jorge M Del CampoPhysical Chemistry Chemical Physics : PCCP|January 22, 2021
Spectroscopic properties of open shell diatomic molecules using Piris natural orbital functionalsRaúl Quintero-Monsebaiz, Luis Ignacio Perea-Ramírez, Mario Piris, et al.Journal of Chemical Theory and Computation|December 29, 2022
Electron Correlation in the Iron(II) Porphyrin by Natural Orbital Functional ApproximationsJuan Felipe Huan Lew-Yee, Jorge M Del Campo, Mario PirisJournal of the American Chemical Society|June 11, 2009
Designing 3-D molecular starsWilliam Tiznado, Nancy Perez-Peralta, Rafael Islas, et al.The Journal of Physical Chemistry. A|November 10, 2006
Activation of methane by the iron dimer cation. A theoretical studySandro Chiodo, Ivan Rivalta, Maria Del Carmen Michelini, et al.Pageof 18