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Parallel Implementation of the Four-Component Relativistic Quasidegenerate Perturbation Theory with General Multiconfigurational Reference Functions.Ab Initio Path Integral Molecular Dynamics Study of the Nuclear Quantum Effect on Out-of-Plane Ring Deformation of Hydrogen Maleate Anion.Low-lying excited states of C120 and C151: a multireference perturbation theory study.Toward the complete range separation of non-hybrid exchange-correlation functional.Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of base pairs.Solvent Dependence of Double Proton Transfer in the Formic Acid-Formamidine Complex: Path Integral Molecular Dynamics Investigation.From C60 to Infinity: Large-Scale Quantum Chemistry Calculations of the Heats of Formation of Higher Fullerenes.Water cluster anions studied by the long-range corrected density functional theory.Assessment of range-separated functionals in the presence of implicit solvent: Computation of oxidation energy, reduction energy, and orbital energy.Correlation functional in screened-exchange density functional theory procedures.Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures.Singularity Correction for Long-Range-Corrected Density Functional Theory with Plane-Wave Basis Sets.Solvent effect on the absorption spectra of coumarin 120 in water: A combined quantum mechanical and molecular mechanical study.Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlationsA path integral molecular dynamics study on intermolecular hydrogen bond of acetic acid-arsenic acid anion and acetic acid-phosphoric acid anion clustersA polarizable mixed Hamiltonian model of electronic structure for micro-solvated excited states. I. Energy and gradients formulation and application to formaldehyde (1A2)Theoretical and experimental study on the excited states of the X-, α- and β-forms of lithium phthalocyaninePhotoionization-induced water migration in the hydrated trans-formanilide cluster cation revealed by gas-phase spectroscopy and ab initio molecular dynamics simulationTheoretical and experimental investigation on the electronic properties of the shuttlecock shaped and the double-decker structured metal phthalocyanines, MPc and M(Pc)2 (M = Sn and Pb)A combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals: implementation for electronic excited statesTheoretical study on the molecular structures of X-, α-, and β-types of lithium phthalocyanine dimerTheoretical vibrational spectra of OH(-)(H2O)2: the effect of quantum distribution and vibrational couplingTheoretical study on the stability of double-decker type metal phthalocyanines, M(Pc)2 and M(Pc)2(+) (M = Ti, Sn and Sc): a critical assessment on the performance of density functionalsAccurate Prediction of Hyperfine Coupling Constants in Muoniated and Hydrogenated Ethyl Radicals: Ab Initio Path Integral Simulation Study with Density Functional Theory MethodAb initio path integral simulations for the fluoride ion-water clusters: competitive nuclear quantum effect between F(-)-water and water-water hydrogen bondsThree-dimensional reference interaction site model self-consistent field study of the electronic structure of [Cr(H2O)6]3+ in aqueous solutionA Simple Model for Relative Energies of All Fullerenes Reveals the Interplay between Intrinsic Resonance and Structural Deformation Effects in Medium-Sized FullerenesThe reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory MethodAb initio quantum mechanics/molecular mechanics method with periodic boundaries employing Ewald summation technique to electron-charge interaction: Treatment of the surface-dipole term
P50
Q40276114-BC707C25-4976-46C2-ABCC-9B5A3D8200D8Q40309025-CE416D81-AD8F-4554-B86A-644E0FD3C5A9Q42836853-47D7D898-A53B-4674-BAEC-1FE1290629E6Q43750860-11BE5DA4-B3A5-454D-A314-4A881A168340Q44660321-03E1993E-E28A-4067-9336-6D8DA1A98F04Q46311347-22DA94A8-62AB-4CA5-9821-B8FD71563AAFQ46606522-55E071C5-CA14-478C-8262-681F0886E351Q47358015-E174CD01-CD7B-404F-981D-61B1BCC80E45Q47866761-60D5E212-A341-4A9F-88B9-260FE7B67AFDQ47911658-192F5E94-ECEF-4262-B67D-B83F1D966BC1Q47949663-D6106581-4234-4521-AC6A-C3530F8438C6Q48047229-4E060D9E-7868-4425-9C70-06EF9B6401A8Q50549130-D36B2549-F443-4A54-AD9A-C34E9386CC42Q57139705-11450F68-7A25-4414-BBF2-33C6DB354930Q57290051-4A82E7F9-8F7A-4692-A159-B8562AA8ED8BQ59899977-2FACBED8-B42A-46D8-9506-3249B80525E4Q83515647-AE2465C6-8A8D-4DC6-9424-6F586AEBEBE7Q83734720-7131BF48-2BA6-4C34-8564-C924C7084439Q84091002-0B30AFA9-326F-4979-90F0-B586E1B682EEQ84151823-E2BBACCB-9742-43F0-9B66-75047EEAB7ACQ84598378-290C27EE-284B-4135-B3F7-AD96388D5758Q86129661-1E907B14-762D-4511-AF13-E5B940C6CEA8Q86677303-48DAE8FA-647F-4EC8-9C13-256E6E26F4E9Q86721943-1E134BC2-71B5-4E03-A02B-5FE484348D78Q86880403-0B080023-556C-4F08-8CF4-DD822E622B5FQ87267466-035C2261-60D7-44FB-825A-AD9B6E9A87FEQ91287162-7735022D-944F-4431-AA87-A8F0221C41AFQ91505259-F5ADDEBB-A3BF-4301-ACAF-E4D2E4010B79Q92714889-FF4CC932-400B-4A17-B261-D0F402FA8D54
P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Yukio Kawashima
@ast
Yukio Kawashima
@en
Yukio Kawashima
@es
Yukio Kawashima
@nl
Yukio Kawashima
@sl
type
label
Yukio Kawashima
@ast
Yukio Kawashima
@en
Yukio Kawashima
@es
Yukio Kawashima
@nl
Yukio Kawashima
@sl
prefLabel
Yukio Kawashima
@ast
Yukio Kawashima
@en
Yukio Kawashima
@es
Yukio Kawashima
@nl
Yukio Kawashima
@sl
P106
P31
P496
0000-0001-5918-1211