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PQI Publications

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PQIPublicationsPQI Publications
1,631 viewsEquatorial coordination of uranyl: Correlating ligand charge donation with the Oyl-U-Oyl asymmetric stretch frequency
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PQIPublicationsPQI Publications
1,625 viewsElectrostatically tuned dimensional crossover in LaAlO3/SrTiO3 heterostructures
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PQIPublicationsPQI Publications
1,625 viewsQuantum chemistry benchmarking of binding and selectivity for lanthanide extractants
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PQIPublicationsPQI Publications
1,632 viewsInterplay Among Sequence, Folding Propensity, and BioPiezoelectricResponse in Short Peptides and Peptoids
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PQIPublicationsPQI Publications
1,624 viewsPolariton Supercurrent Generation in Unipolar Electro-optic Devices
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PQIPublicationsPQI Publications
3 viewsThermodynamics of concentrated solid solution alloys
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PQIPublicationsPQI Publications
3 viewsReorientation-induced spectral diffusion of non-isotropic orientation distributions
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PQIPublicationsPQI Publications
3 viewsA sobering assessment of small-molecule force field methods for low energy conformer predictions
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PQIPublicationsPQI Publications
3 viewsCleaving Off Uranyl Oxygens through Chelation: A Mechanistic Study in the Gas Phase
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PQIPublicationsPQI Publications
3 viewsComputationally Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson−Khand Reaction of Allenyl...
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PQIPublicationsPQI Publications
231 viewsMeasuring and Understanding Contact Area at the Nanoscale​​​​​​​
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PQIPublicationsPQI Publications
231 viewsExperimental and Computational Exploration of Para-Selective Silylation Involving H-Bonded Template
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PQIPublicationsPQI Publications
1,631 viewsEquatorial coordination of uranyl: Correlating ligand charge donation with the Oyl-U-Oyl asymmetric stretch frequency
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Published
PQIPublicationsPQI Publications
1,625 viewsElectrostatically tuned dimensional crossover in LaAlO3/SrTiO3 heterostructures
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Published (M)
PQIPublicationsPQI Publications
1,625 viewsQuantum chemistry benchmarking of binding and selectivity for lanthanide extractants
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Published
PQIPublicationsPQI Publications
1,632 viewsInterplay Among Sequence, Folding Propensity, and BioPiezoelectricResponse in Short Peptides and Peptoids
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Published
PQIPublicationsPQI Publications
1,624 viewsPolariton Supercurrent Generation in Unipolar Electro-optic Devices
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Published
PQIPublicationsPQI Publications
3 viewsThermodynamics of concentrated solid solution alloys
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Published
PQIPublicationsPQI Publications
3 viewsReorientation-induced spectral diffusion of non-isotropic orientation distributions
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Published
PQIPublicationsPQI Publications
3 viewsA sobering assessment of small-molecule force field methods for low energy conformer predictions
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Published
PQIPublicationsPQI Publications
3 viewsCleaving Off Uranyl Oxygens through Chelation: A Mechanistic Study in the Gas Phase
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Published
PQIPublicationsPQI Publications
3 viewsComputationally Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson−Khand Reaction of Allenyl...
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Published
PQIPublicationsPQI Publications
231 viewsMeasuring and Understanding Contact Area at the Nanoscale​​​​​​​
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Published
PQIPublicationsPQI Publications
231 viewsExperimental and Computational Exploration of Para-Selective Silylation Involving H-Bonded Template
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Published
PQIPublicationsPQI Publications
228 viewsTridentate Directing Groups Stabilize 6-Membered Palladacycles in Catalytic Alkene Hydrofunctionalization
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PQIPublicationsPQI Publications
231 viewsShape-Adapted Ewald Summation
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PQIPublicationsPQI Publications
228 viewsSegregation-induced ordered superstructures at general grain boundaries in a nickel-bismuth alloy
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PQIPublicationsPQI Publications
156 viewsTile-decoration model of a Co-rich AlCoNi quasicrystal derived from the W-AlCoNi approximant
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PQIPublicationsPQI Publications
310 viewsRevealing Disparate Chemistries of Protactinium and Uranium. Synthesis of the Molecular Uranium Tetroxide Anion, UO4–
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PQIPublicationsPQI Publications
277 viewsDo students benefit from drawing productive diagrams themselves while solving introductory physics problems? The case...
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PQIPublicationsPQI Publications
200 viewsScaling behavior of oxide-based electrothermal threshold switching devices
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PQIPublicationsPQI Publications
315 viewsA Molecular Dynamics Study of Water Flow Across Multiple Layers of Pristine, Oxidized, and Mixed Regions of Graphene...
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PQIPublicationsPQI Publications
314 viewsSurface Restructuring of Nickel Sulfide Generates Optimally Coordinated Active Sites for ORR CatalysisJoule 1, 1 (2017)
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PQIPublicationsPQI Publications
314 viewsMultibond Model of Single-Asperity Tribochemical Wear at the Nanoscale
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PQIPublicationsPQI Publications
161 viewsCharge and spin transport through nucleic acids
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PQIPublicationsPQI Publications
273 viewsRoom-Temperature Quantum Transport Signatures in Graphene/LaAlO3/SrTiO3 Heterostructures
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Graphene/LaAlO3/SrTiO3 Heterostructures