about
Electron-driven acid-base chemistry: proton transfer from hydrogen chloride to ammonia.Role of water in electron-initiated processes and radical chemistry: issues and scientific advances.Marcus Theory of Ion-Pairing.Revisiting the hydration structure of aqueous Na.Trends in mica-mica adhesion reflect the influence of molecular details on long-range dispersion forces underlying aggregation and coalignment.Real single ion solvation free energies with quantum mechanical simulation.Probing equilibrium of molecular and deprotonated water on TiO2(110).Hydrated structure of Ag(I) ion from symmetry-dependent, K- and L-edge XAFS multiple scattering and molecular dynamics simulations.The aqueous Ca2+ system, in comparison with Zn2+, Fe3+, and Al3+: an ab initio molecular dynamics study.Structure and hydrolysis of the U(IV), U(V), and U(VI) aqua ions from ab initio molecular simulations.Near-Quantitative Agreement of Model-Free DFT-MD Predictions with XAFS Observations of the Hydration Structure of Highly Charged Transition-Metal Ions.Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions.Mass density fluctuations in quantum and classical descriptions of liquid water.Supersaturated calcium carbonate solutions are classical.Helium diffusion through H2O and D2O amorphous ice: observation of a lattice inverse isotope effect.Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies.Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations.Dependence of the Rate of LiF Ion-Pairing on the Description of Molecular Interaction.Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics.The role of solvent heterogeneity in determining the dispersion interaction between nanoassemblies.Molecular structure and dynamics in the low temperature (orthorhombic) phase of NH3BH3.Multicomponent dynamical nucleation theory and sensitivity analysis.Unified equation of state for weakly and strongly coupled laboratory plasmas.Neutron powder diffraction and molecular simulation study of the structural evolution of ammonia borane from 15 to 340 K.Analytic distribution for charge carriers in a semiconductor dominated by equivalent intervalley scattering.Unraveling the spectral signatures of solvent ordering in K-edge XANES of aqueous NaMaterials for hydrogen storage: structure and dynamics of borane ammonia complexThe diammoniate of diborane: crystal structure and hydrogen releaseThe structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulationPersistent Ion Pairing in Aqueous Hydrochloric AcidThe Role of Broken Symmetry in Solvation of a Spherical Cavity in Classical and Quantum Water ModelsImproving the density functional theory description of water with self-consistent polarizationComment on "Quantum nature of the sign preference in ion-induced nucleation"XAFS Debye-Waller factors in aqueous Cr+3 from molecular dynamicsMolecular simulations of the transport of molecules across the liquid/vapor interface of waterAnalysis of the activation and heterolytic dissociation of H2 by frustrated Lewis pairs: NH3/BX3 (X = H, F, and Cl)Correction to "Quantitatively probing the Al distribution in zeolites"Experimental and theoretical study of molecular response of amine bases in organic solventsQuantitatively probing the Al distribution in zeolitesRate theory of ion pairing at the water liquid-vapor interface: A case of sodium iodide
P50
Q34750338-AF073DB6-8E80-4390-8484-B7415B29AE8DQ36047857-E49D3208-5687-4BE3-8A3D-A8757C7B358FQ38656436-1927D317-5E33-4668-90BD-AD7B8BE5F5B0Q38935366-8D616916-F9CC-420B-BE81-DBE512416866Q41147977-DC515100-C3B5-4091-8489-BB3C6BB1D1F2Q42151784-A11E7C4E-4359-4F68-8C5E-954E0DE7415DQ42318143-7C693EEB-2636-4F67-9F4B-AA9D73A9F136Q43259105-9E3B6824-6AED-40C5-B8F5-4288FB141318Q45344385-7765E01A-D0A6-4B6F-90F5-C0B4E7122CEDQ45830844-C241DAD5-2D17-488D-A5B7-86EBCAC91FDDQ46650125-43980D13-66F4-40A3-A19A-F3F5A2A7ECC6Q47387061-ECD8BCC3-6509-4A28-8BC4-681F377A2B08Q47986857-E8A0D876-2B6D-438D-BD5B-324DA6779D8FQ48042671-2F3AAE8C-EC56-44ED-9CF5-49C70AC72FA4Q49260679-73B6AD32-4B1F-471E-8D15-B8B568AEC0CFQ50066257-22B3143B-C2F5-49C6-9051-2C0D610825B5Q50583555-BA9FA1FF-A4A3-470B-B169-2AC55163803FQ50786081-3FABA847-5163-4E47-8DF7-694DB44A5AE0Q50909777-41C4435E-F77F-45A3-AF38-C3A35114ED57Q50931778-143A8A79-A9BF-4B2D-9EC2-C016BD433B0BQ51621911-7A5746DE-C9A5-4FB7-972D-585EB4A4A9A9Q51993436-825D9D26-A387-4DD6-B35E-CA11AC07F847Q52428926-CEB5580F-4866-492F-BDAF-EB3E4A7A180AQ52593026-B5A6A14B-2D8F-4029-BCDC-87983D7D434EQ54125619-D799F8A1-33A2-4260-8109-2A94E3DC19CFQ57066814-D5B37C7B-BBE9-4CDF-9CC4-2777D58B0D1FQ59656644-74438165-5B59-4952-8806-D2FB565AB15BQ59903937-133FA7BA-356F-421B-A942-827DABC556A0Q59943912-597F6217-DC20-44D5-9B5A-76DC4239F7E3Q59943914-BF027176-D8CE-4D3D-B828-316F79668DC6Q59943915-89C250F8-B0DD-4817-A505-7CE9B596FD0AQ59943930-0991BD62-C801-4F8A-AF9B-4CEC63BB4DE4Q79941459-9C71E5A8-DA71-4E78-B709-3386E12DEDE9Q80358589-56C2CD03-D4B9-4971-9265-8F53B3C825DBQ83141747-0B000588-5C7C-4E26-A3C0-EBC11E8C8C0EQ84288781-BFFCE86B-A28B-4382-A5B2-1A562A0444D4Q86703103-9AA3A9E0-A8B1-4897-98EB-C50CBEA7B28DQ87591365-AB8FC5EB-57B3-49BC-ACF3-CC19B4C07ED3Q87848240-60C05BCD-93D6-4DAA-AD01-57646B70606DQ89117467-E2679C89-DC6F-4126-897E-BDB3306B94C9
P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Gregory K Schenter
@ast
Gregory K Schenter
@en
Gregory K Schenter
@es
Gregory K Schenter
@nl
Gregory K Schenter
@sl
type
label
Gregory K Schenter
@ast
Gregory K Schenter
@en
Gregory K Schenter
@es
Gregory K Schenter
@nl
Gregory K Schenter
@sl
prefLabel
Gregory K Schenter
@ast
Gregory K Schenter
@en
Gregory K Schenter
@es
Gregory K Schenter
@nl
Gregory K Schenter
@sl
P1053
I-7655-2014
P106
P21
P31
P3829
P496
0000-0001-5444-5484