about
Quantum Trajectory-Electronic Structure Approach for Exploring Nuclear Effects in the Dynamics of Nanomaterials.Electronic Population Inversion in HCCO/DCCO Products from Hyperthermal Collisions of O((3)P) with HCCH/DCCD.Deuteration as a Means to Tune Crystallinity of Conducting Polymers.Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections.Quantum Dynamics with Gaussian Bases Defined by the Quantum Trajectories.Estimation of the Ground State Energy of an Atomic Solid by Employing Quantum Trajectory Dynamics with Friction.Dynamics in the quantum/classical limit based on selective use of the quantum potential.The Schrödinger equation with friction from the quantum trajectory perspective.Wavepacket approach to the cumulative reaction probability within the flux operator formalism.Computation of correlation functions and wave function projections in the context of quantum trajectory dynamics.Quantum trajectory dynamics in imaginary time with the momentum-dependent quantum potential.Stable long-time semiclassical description of zero-point energy in high-dimensional molecular systems.Stabilization of quantum energy flows within the approximate quantum trajectory approach.Energy conserving approximations to the quantum potential: dynamics with linearized quantum force.Bohmian dynamics on subspaces using linearized quantum force.Theoretical assessment of the nuclear quantum effects on polymer crystallinity via perturbation theory and dynamicsRelevance of the Nuclear Quantum Effects on the Proton/Deuteron Transmission through Hexagonal Boron Nitride and Graphene MonolayersNuclear quantum effects on adsorption of H 2 and isotopologues on metal ionsApproximate quantum trajectory dynamics for reactive processes in condensed phaseAdsorption of a Hydrogen Atom on a Graphene Flake Examined with Quantum Trajectory/Electronic Structure DynamicsThe effect of local substrate motion on quantum hydrogen transfer in soybean lipoxygenase-1 modeled with QTES-DFTB dynamicsThe hybrid Quantum Trajectory/Electronic Structure DFTB-based approach to Molecular DynamicsDescription of proton transfer in soybean lipoxygenase-1 employing approximate quantum trajectory dynamicsOptimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materialsCalculation of the Quantum-Mechanical Tunneling in Bound PotentialsSelectively Deuterated Poly(ε-caprolactone)s: Synthesis and Isotope Effects on the Crystal Structures and PropertiesCrossed-Beams and Theoretical Studies of Hyperthermal Reactions of O(3P) with HCl†Symmetrization of the nuclear wavefunctions defined by the quantum trajectory dynamicsAnalytical potential energy surface for O+C2H2 systemSemiclassical Bohmian DynamicsComputational complexity in quantum chemistrySemiclassical nonadiabatic dynamics of NaFH with quantum trajectoriesQuantum Trajectory Dynamics in Arbitrary Coordinates†Semiclassical nonadiabatic dynamics based on quantum trajectories for the O(P3,D1)+H2 systemSemiclassical nonadiabatic dynamics with quantum trajectoriesSemiclassical nonadiabatic dynamics using a mixed wave-function representationApplicability criterion for semiclassical Bohmian dynamicsGeminal model chemistry II. Perturbative correctionsModified quantum trajectory dynamics using a mixed wave function representationQuantum dynamics with Bohmian trajectories: energy conserving approximation to the quantum potential
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Q40292034-FB7C11DB-CF41-4344-B0A2-3CE3E3F511BBQ40634165-7B499EBC-7043-4162-B56D-9AC70793B0D1Q47755194-E95B9C84-3438-4BE0-B0BA-822D0C305646Q50597326-C25AC920-3590-4E58-9B81-AC1589869D3FQ50743138-8287A166-B76D-4237-8A1F-1A3F3FBD0E9DQ50771850-AA44917A-0A6F-45A4-9B93-997034B0235DQ50991928-2604BAA4-EF83-4E72-865C-1991E82E22EDQ51258748-C92BCFA3-020F-4C47-AB27-478CAE9B09CFQ51615131-CEA2AB6D-BFCE-44BB-ADBA-675B1D98BB07Q51626879-E25F2569-E90C-444E-B5CC-F196F6946B35Q51728948-63CEB7E4-58B7-45B3-828F-22CC8DABE4FBQ51873095-EC93736A-1439-4008-85AE-297A999DBD9AQ51908988-C1FD1722-AA2D-4AAE-8645-B9E7C18DD42BQ52410041-C9653A80-2D58-453F-B9E2-A524C9EA240EQ52410070-8E4F65A5-F926-40A4-8F93-E5641C4813BAQ58232398-C8386588-3C08-4EDA-BA1F-3D88F6236942Q58232405-D51029E9-1D4C-45E6-BDB2-839C40712A80Q58232410-4E42BBBB-CCEC-4BE1-A2A7-CB9FC76F1D18Q58232412-19124EFE-00CC-489D-9B6F-03979D2C94C2Q58232413-D4FB4A3F-3753-4AF0-B2A2-294773C7A68AQ58232415-4E37FED1-0282-4BFF-9E6C-A44DAA2061A0Q58232416-0657123B-5076-4DBC-A5AD-4B134C161214Q58232422-EE97B902-32AF-4AD6-99F8-A1EACA30D0B2Q58232428-390FE55D-8543-48BA-939E-5C1B4640639EQ59062490-CFD3A9BB-4E9E-4E3F-B5DD-5215962DFE86Q59447641-DD810D1C-BD27-4983-8772-DB0479509764Q59944122-46523DA8-20BE-482B-A98E-4908D6EB7035Q62046531-DD39EF62-13EC-4C73-97BB-C8AAD707A695Q62046537-092140A1-30C1-4D96-9B09-699F62BC2A0BQ62046548-E7D31FBF-59D7-4C06-8856-9A2CC60CE111Q62046554-0917D87A-E3FB-44F6-A8BB-01215260368DQ62046568-8D140C87-AA29-426E-A77E-4A18B8C4920BQ62046573-FF8D727B-3CD9-4970-8B61-E8B49CE100AAQ62046575-AC2530CA-EB3E-47E6-9DC9-E337394BF9B8Q62046577-7BE19549-DE13-4520-89C5-65B7CE93B58BQ62046579-C4D45808-8B6E-4E72-981A-C0F87EC793AFQ62046583-95AB18EE-BBBA-49EC-BA57-F3FB9A3B23E9Q62046585-1607CB7B-45E7-43AA-AEFA-B8554C73BE16Q62046587-8725650C-942F-4F0E-B613-70B028BC5267Q62046589-B81FAF37-9163-411E-9B6C-BA0EFF010844
P50
description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Sophya Garashchuk
@ast
Sophya Garashchuk
@en
Sophya Garashchuk
@es
Sophya Garashchuk
@nl
Sophya Garashchuk
@sl
type
label
Sophya Garashchuk
@ast
Sophya Garashchuk
@en
Sophya Garashchuk
@es
Sophya Garashchuk
@nl
Sophya Garashchuk
@sl
prefLabel
Sophya Garashchuk
@ast
Sophya Garashchuk
@en
Sophya Garashchuk
@es
Sophya Garashchuk
@nl
Sophya Garashchuk
@sl
P106
P1153
6603065069
P31
P496
0000-0003-2452-7379