2024/03/08 Inverse Kinetic Isotope Effect in Singlet-to-Triplet Intersystem Crossing Contributes to Greater Robustness of Deuterated Organocatalyst
2023/12/22 Theoretical Analysis of Hydrogen-Bonded Structures of the Enhanced Green Fluorescent Protein
2023/12/01 Internal dynamics of multidomain protein as revealed by an optimized neutron spin echo measurement and all-atom molecular dynamics simulation
2023/10/18 TurboID-EV: Proteomic Mapping of Recipient Cellular Proteins Proximal to Small Extracellular Vesicles
2023/10/07 Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor
2023/10/01 Rh-catalysed divergent synthesis of polysubstituted pyrroles from α,β-unsaturated ketones via selective single or double insertion of isocyanides
2023/09/21 Alkyl Sulfonium Salt-based Reagents for Introduction of Deuterated Alkyl Groups in Drug Discovery
2023/09/20 Multiple Deuteration of Triphenylphosphine and Live-cell Raman Imaging of Deuterium-incorporated Mito-Q
2023/07/01 Computational Analysis of H/D Isotope Effect on Adsorption of Water and Its Dissociated Species on Pt(111) Surface.
2023/06/18 Rational Supramolecular Strategy via Halogen Bonding for Effective Halogen Recognition in Molecular Imprinting
2023/05/01 Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS
2023/01/27 Direct elucidation of the vibrationally averaged structure of benzene: A path integral molecular dynamics study
2023/01/26 Unprecedented regioselective deuterium-incorporation of alkyltrimethylammonium chlorides and Raman analysis
2022/10/25 Oxidative two‐way regiocontrolled coupling of 3‐methoxycarbonylcatechol and indoles to arylindoles
2022/07/25 Repulsive segregation of fluoroalkyl side chains turns a cohesive polymer into a mechanically tough, ultrafast self-healable, nonsticky elastomer
2022/07/11 A path integral molecular dynamics study on the NH4+ rotation in NH4+⋯XH2 (X = Be or Mg) dihydrogen bond systems
2022/06/23 Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron-induced intramolecular proton transfer reactions in 8-hydroxyquinoline
2022/02/17 Moderate molecular recognitions on ZnO m-plane and their selective capture/release of bio-related phosphoric acids
2022/01/21 Hydrogen/deuterium transfer from anisole to methoxy radical: A theoretical study of a deuterium-labeled drug model
2022/01/04 Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: An ab initio path integral molecular dynamics study
2021/10/28 H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O- and D2O-ice Ih(0 0 0 1) basal surfaces based on the combined plane wave and localized basis set method
2021/10/26 Gold-Catalyzed Tandem Oxidative Coupling Reaction between β-Ketoallenes and Electron-Rich Arenes to 2-Furylmethylarenes
2021/10/22 H/D Isotope Effects in Keto-Enol Tautomerism of β-Dicarbonyl Compounds —Importance of Nuclear Quantum Effects of Hydrogen Nuclei—
2024/03/08 Inverse Kinetic Isotope Effect in Singlet-to-Triplet Intersystem Crossing Contributes to Greater Robustness of Deuterated Organocatalyst
2023/12/22 Theoretical Analysis of Hydrogen-Bonded Structures of the Enhanced Green Fluorescent Protein
2023/12/01 Internal dynamics of multidomain protein as revealed by an optimized neutron spin echo measurement and all-atom molecular dynamics simulation
2023/10/18 TurboID-EV: Proteomic Mapping of Recipient Cellular Proteins Proximal to Small Extracellular Vesicles
2023/10/07 Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor
2023/10/01 Rh-catalysed divergent synthesis of polysubstituted pyrroles from α,β-unsaturated ketones via selective single or double insertion of isocyanides
2023/09/21 Alkyl Sulfonium Salt-based Reagents for Introduction of Deuterated Alkyl Groups in Drug Discovery
2023/09/20 Multiple Deuteration of Triphenylphosphine and Live-cell Raman Imaging of Deuterium-incorporated Mito-Q
2023/07/01 Computational Analysis of H/D Isotope Effect on Adsorption of Water and Its Dissociated Species on Pt(111) Surface.
2023/06/18 Rational Supramolecular Strategy via Halogen Bonding for Effective Halogen Recognition in Molecular Imprinting
2023/05/01 Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS
2023/01/27 Direct elucidation of the vibrationally averaged structure of benzene: A path integral molecular dynamics study
2023/01/26 Unprecedented regioselective deuterium-incorporation of alkyltrimethylammonium chlorides and Raman analysis
2022/10/25 Oxidative two‐way regiocontrolled coupling of 3‐methoxycarbonylcatechol and indoles to arylindoles
2022/07/25 Repulsive segregation of fluoroalkyl side chains turns a cohesive polymer into a mechanically tough, ultrafast self-healable, nonsticky elastomer
2022/07/11 A path integral molecular dynamics study on the NH4+ rotation in NH4+⋯XH2 (X = Be or Mg) dihydrogen bond systems
2022/06/23 Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron-induced intramolecular proton transfer reactions in 8-hydroxyquinoline
2022/02/17 Moderate molecular recognitions on ZnO m-plane and their selective capture/release of bio-related phosphoric acids
2022/01/21 Hydrogen/deuterium transfer from anisole to methoxy radical: A theoretical study of a deuterium-labeled drug model
2022/01/04 Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: An ab initio path integral molecular dynamics study
2021/10/28 H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O- and D2O-ice Ih(0 0 0 1) basal surfaces based on the combined plane wave and localized basis set method
2021/10/26 Gold-Catalyzed Tandem Oxidative Coupling Reaction between β-Ketoallenes and Electron-Rich Arenes to 2-Furylmethylarenes
2021/10/22 H/D Isotope Effects in Keto-Enol Tautomerism of β-Dicarbonyl Compounds —Importance of Nuclear Quantum Effects of Hydrogen Nuclei—
