Maria Alexandra Gomez

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Lawrence PrattTulane UniversityVerified email at tulane.edu
Dilip AsthagiriOak Ridge National LaboratoryVerified email at ornl.gov
Joel D KressLos Alamos National Laboratory; Iowa State UniversityVerified email at cybermesa.com
John TullySterling Professor of Chemistry, Yale UniversityVerified email at yale.edu
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyVerified email at cchem.berkeley.edu
David L FreemanProfessor of Chemistry, University of Rhode IslandVerified email at uri.edu
Valentino R. CooperMaterial Science and Technology Division, Oak Ridge National LaboratoryVerified email at ornl.gov
James KindtEmory UniversityVerified email at emory.edu
Laura E. FernandezAmerican Chemical SocietyVerified email at acs.org
Saryu FensinLos Alamos National LabVerified email at lanl.gov
Paul GrabowskiLawrence Livermore National LaboratoryVerified email at llnl.gov
Demian RiccardiThermodynamic Research Center, NISTVerified email at nist.gov
Shekhar GardeRensselaer Polytechnic InstituteVerified email at rpi.edu
Gerhard HummerMax Planck Institute of BiophysicsVerified email at biophys.mpg.de

Maria Alexandra Gomez

Professor of chemistry, Mount Holyoke College

Verified email at mtholyoke.edu - Homepage

proton conduction graph theory measures


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Quantum annealing: A new method for minimizing multidimensional functions AB Finnila, MA Gomez, C Sebenik, C Stenson, JD Doll Chemical physics letters 219 (5-6), 343-348, 1994	893	1994
Electronic and phonon mechanisms of vibrational relaxation: CO on Cu (100) JC Tully, M Gomez, M Head‐Gordon Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 11 (4 …, 1993	249	1993
Hydration and mobility of HO-(aq) D Asthagiri, LR Pratt, JD Kress, MA Gomez Proceedings of the National Academy of Sciences 101 (19), 7229-7233, 2004	179	2004
The effect of octahedral tilting on proton binding sites and transition states in pseudo-cubic perovskite oxides MA Gomez, MA Griffin, S Jindal, KD Rule, VR Cooper The Journal of chemical physics 123 (9), 2005	136	2005
Electron-hole pair contributions to scattering, sticking, and surface diffusion: CO on Cu (100) JT Kindt, JC Tully, M Head-Gordon, MA Gomez The Journal of chemical physics 109 (9), 3629-3636, 1998	101	1998
The effect of yttrium dopant on the proton conduction pathways of BaZrO3, a cubic perovskite MA Gomez, M Chunduru, L Chigweshe, L Foster, SJ Fensin, KM Fletcher, ... The Journal of chemical physics 132 (21), 2010	80	2010
The hydration state of HO−(aq) D Asthagiri, LR Pratt, JD Kress, MA Gomez Chemical physics letters 380 (5-6), 530-535, 2003	77	2003
Quasi-chemical theory and the standard free energy of H+ (aq) P Grabowski, D Riccardi, MA Gomez, D Asthagiri, LR Pratt The Journal of Physical Chemistry A 106 (40), 9145-9148, 2002	66	2002
Molecular realism in default models for information theories of hydrophobic effects MA Gomez, LR Pratt, G Hummer, S Garde The Journal of Physical Chemistry B 103 (18), 3520-3523, 1999	53	1999
Quasi-chemical theory for the statistical thermodynamics of the hard-sphere fluid LR Pratt, RA LaViolette, MA Gomez, ME Gentile The Journal of Physical Chemistry B 105 (47), 11662-11668, 2001	51	2001
Comparison of proton conduction in KTaO3 and SrZrO3 MA Gomez, S Jindal, KM Fletcher, LS Foster, NDA Addo, D Valentin, ... The Journal of chemical physics 126 (19), 2007	32	2007
Spectroscopic studies of surface and subsurface hydrogen/metal systems DL Lynch, SW Rick, MA Gomez, BW Spath, JD Doll, LR Pratt The Journal of chemical physics 97 (7), 5177-5181, 1992	27	1992
Theoretical studies of the structure and dynamics of metal/hydrogen systems: Diffusion and path integral Monte Carlo investigations of nickel and palladium clusters B Chen, MA Gomez, M Sehl, JD Doll, DL Freeman The Journal of chemical physics 105 (21), 9686-9694, 1996	25	1996
Oxygen vacancies altering the trapping in the proton conduction landscape of doped barium zirconate Z Lin, S Lin, Y Tian, A Van Bokkelen, M Valerio, MA Gomez The Journal of Physical Chemistry C 124 (51), 27954-27964, 2020	22	2020
Local Distortions and Dynamics in Hydrated Y-Doped BaZrO₃ A Torayev, L Sperrin, MA Gomez, JA Kattirtzi, C Merlet, CP Grey The Journal of Physical Chemistry C 124 (30), 16689-16701, 2020	22	2020
Effects on the Proton Conduction Limiting Barriers and Trajectories in BaZr_0.875Y_0.125O₃ Due to the Presence of Other Protons MA Gomez, DL Fry, ME Sweet Journal of the Korean Ceramic Society 53 (5), 521-528, 2016	21	2016
Protons in Al doped BaZrO3 escape dopant traps to access long range proton conduction highways MA Gomez, FJ Liu Solid State Ionics 252, 40-47, 2013	21	2013
Theoretical studies of the effect of hydrogen–hydrogen interactions on the structural and dynamical properties of metal/hydrogen clusters B Chen, MA Gomez, JD Doll, DL Freeman The Journal of chemical physics 108 (10), 4031-4038, 1998	21	1998
Cooperative origin of proton pair diffusivity in yttrium substituted barium zirconate P Du, Q Chen, Z Fan, H Pan, FG Haibach, MA Gomez, A Braun Communications Physics 3 (1), 200, 2020	19	2020
The effect of dopant at the Zr site on the proton conduction pathways of SrZrO3: an orthorhombic perovskite MA Gomez, M Chunduru, L Chigweshe, KM Fletcher The Journal of chemical physics 133 (6), 2010	16	2010

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