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Correlated dynamics in aqueous proton diffusion

Chemical science (Cambridge), 2018, Vol.9 (35), p.7126-7132

2018

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Catalytic activity of bimetallic nickel alloys for solid-oxide fuel cell anode reactions from density-functional theory

Journal of power sources, 2011-05, Vol.196 (10), p.4724-4728

2011

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Molecular dynamics simulation of yttria-stabilized zirconia (YSZ) crystalline and amorphous solids

Journal of physics. Condensed matter, 2011-01, Vol.23 (3), p.035401-16

2011

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Proton transport through hydrated chitosan‐based polymer membranes under electric fields

Journal of polymer science. Part B, Polymer physics, 2017-07, Vol.55 (14), p.1103-1109

2017

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Variational fitting methods for electronic structure calculations

Molecular physics, 2010-11, Vol.108 (21-23), p.3167-3180

2010

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Corrigendum: Proton transport through hydrated chitosan‐based polymer membranes under electric fields

Journal of polymer science. Part B, Polymer physics, 2018-03, Vol.56 (6), p.543-543

2018

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Density perturbation theory

The Journal of chemical physics, 2015-07, Vol.143 (4), p.044115-044115

2015

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Effects of dopant clustering in cubic zirconia stabilized by yttria and scandia from molecular dynamics

Solid state ionics, 2013-12, Vol.253, p.130-136

2013

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Orbital angular momentum eigenfunctions for fast and numerically stable evaluations of closed-form pseudopotential matrix elements

The Journal of chemical physics, 2017-08, Vol.147 (7), p.074102-074102

2017

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Lattice dielectric and thermodynamic properties of yttria stabilized zirconia solids

Journal of physics. Condensed matter, 2009-04, Vol.21 (14), p.145402-145402 (6)

2009

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Sb@Ni 12 @Sb 20 -/+ and Sb@Pd 12 @Sb 20 n Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids

Journal of the American Chemical Society, 2017-01, Vol.139 (2), p.619-622

2017

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Absence of Rickettsia rickettsii and Occurrence of Other Spotted Fever Group Rickettsiae in Ticks from Tennessee

The American journal of tropical medicine and hygiene, 2010-09, Vol.83 (3), p.653-657

2010

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Variational, V-representable, and variable-occupation-number perturbation theories

The Journal of chemical physics, 2008-12, Vol.129 (24), p.244109-244109

Dunlap, Brett I

2008

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Black vulture conflict and management in the United States: damage trends, management overview, and research needs

Human-wildlife interactions, 2020, Vol.14 (3), p.376-389

2020

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Three-center molecular integrals and derivatives using solid harmonic Gaussian orbital and Kohn–Sham potential basis sets

Canadian journal of chemistry, 2013-09, Vol.91 (9), p.907-915

2013

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Rickettsia parkeri in Amblyomma americanum ticks, Tennessee and Georgia, USA

Emerging infectious diseases, 2009-09, Vol.15 (9), p.1471-1473

2009

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Cation coordination and interstitial oxygen occupancy in co-doped zirconia from first principles

Solid state ionics, 2012-10, Vol.227, p.66-72

2012

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Electronic structure and molecular dynamics of breaking the RO-NO2 bond

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244110-244110

2009

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Thermodynamic and kinetic stabilities of CO2 oligomers

The Journal of chemical physics, 2013-04, Vol.138 (13), p.134304-134304

2013

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Self-consistent, constrained linear-combination-of-atomic-potentials approach to quantum mechanics

The Journal of chemical physics, 2011-01, Vol.134 (4), p.044122-044122-10

2011

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Kinetic Monte Carlo simulation of the elementary electrochemistry in a hydrogen-powered solid oxide fuel cell

Journal of power sources, 2010-07, Vol.195 (13), p.4177-4184

2010

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Shattering dissociation in high-energy molecular collisions between nitrate esters

The Journal of chemical physics, 2011-09, Vol.135 (11), p.114306-114306-6

2011

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General degeneracy in density functional perturbation theory

Physical review. B, 2017-07, Vol.96 (4), Article 045109

2017

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Electronic structure of fullerenelike cages and finite nanotubes of aluminum nitride

Physical review. B, Condensed matter and materials physics, 2005-07, Vol.72 (4), p.045439.1-045439.6, Article 045439

2005

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Optical excitation energies, Stokes shift, and spin-splitting of C24H72Si14

The Journal of chemical physics, 2010-07, Vol.133 (3), p.034301-034301

2010

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Correlated dynamics in aqueous proton diffusion

Catalytic activity of bimetallic nickel alloys for solid-oxide fuel cell anode reactions from density-functional theory

Molecular dynamics simulation of yttria-stabilized zirconia (YSZ) crystalline and amorphous solids

Proton transport through hydrated chitosan‐based polymer membranes under electric fields

Variational fitting methods for electronic structure calculations

Corrigendum: Proton transport through hydrated chitosan‐based polymer membranes under electric fields

Density perturbation theory

Effects of dopant clustering in cubic zirconia stabilized by yttria and scandia from molecular dynamics

Orbital angular momentum eigenfunctions for fast and numerically stable evaluations of closed-form pseudopotential matrix elements

Lattice dielectric and thermodynamic properties of yttria stabilized zirconia solids

Sb@Ni 12 @Sb 20 -/+ and Sb@Pd 12 @Sb 20 n Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids

Absence of Rickettsia rickettsii and Occurrence of Other Spotted Fever Group Rickettsiae in Ticks from Tennessee

Variational, V-representable, and variable-occupation-number perturbation theories

Black vulture conflict and management in the United States: damage trends, management overview, and research needs

Three-center molecular integrals and derivatives using solid harmonic Gaussian orbital and Kohn–Sham potential basis sets

Rickettsia parkeri in Amblyomma americanum ticks, Tennessee and Georgia, USA

Cation coordination and interstitial oxygen occupancy in co-doped zirconia from first principles

Electronic structure and molecular dynamics of breaking the RO-NO2 bond

Thermodynamic and kinetic stabilities of CO2 oligomers

Self-consistent, constrained linear-combination-of-atomic-potentials approach to quantum mechanics

Kinetic Monte Carlo simulation of the elementary electrochemistry in a hydrogen-powered solid oxide fuel cell

Shattering dissociation in high-energy molecular collisions between nitrate esters

General degeneracy in density functional perturbation theory

Electronic structure of fullerenelike cages and finite nanotubes of aluminum nitride

Optical excitation energies, Stokes shift, and spin-splitting of C24H72Si14

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