about
The chemical shift of deprotonated water dimer: ab initio path integral simulation.Implementation and performance of the artificial force induced reaction method in the GRRM17 program.Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems.Multicomponent Molecular Orbital-Climbing Image-Nudged Elastic Band Method to Analyze Chemical Reactions Including Nuclear Quantum Effect.Temperature and isotope effects on water cluster ions with path integral molecular dynamics based on the fourth order Trotter expansionCommunication: A concerted mechanism between proton transfer of Zundel anion and displacement of counter cationEfficient ab initio path integral hybrid Monte Carlo based on the fourth-order Trotter expansion: Application to fluoride ion-water clusterTemperature dependence on the structure of Zundel cation and its isotopomersAb initio path integral simulations for the fluoride ion-water clusters: competitive nuclear quantum effect between F(-)-water and water-water hydrogen bonds
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description
researcher ORCID ID = 0000-0002-4080-5036
@en
wetenschapper
@nl
name
Kimichi Suzuki
@ast
Kimichi Suzuki
@en
Kimichi Suzuki
@es
Kimichi Suzuki
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type
label
Kimichi Suzuki
@ast
Kimichi Suzuki
@en
Kimichi Suzuki
@es
Kimichi Suzuki
@nl
prefLabel
Kimichi Suzuki
@ast
Kimichi Suzuki
@en
Kimichi Suzuki
@es
Kimichi Suzuki
@nl
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0000-0002-4080-5036