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Theoretical study of the effect of nonlocal short-range exchange on calculations of molecular excitation energies in the dielectric screened-exchange method

Chemical physics letters, 2022-09, Vol.802, p.139740, Article 139740

2022

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A theoretical study on solvatofluorochromic asymmetric thiazolothiazole (TTz) dyes using dielectric-dependent density functional theory

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (37), p.2178-2186

2021

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Multi-component configuration interaction study for positron–molecule compounds: benchmark calculations of positron binding in polar and non-polar molecules

The European physical journal. D, Atomic, molecular, and optical physics, 2024, Vol.78 (1), Article 10

2024

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Transport Characteristics of Placenta-Derived Extracellular Vesicles and Their Relevance to Placenta-to-Maternal Tissue Communication

Chemical and Pharmaceutical Bulletin, 2022/05/01, Vol.70(5), pp.324-329

2022

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A path integral molecular dynamics study on the muoniated xanthene-thione molecule

The Journal of chemical physics, 2023-09, Vol.159 (10)

2023

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A comprehensive theoretical study of positron binding and annihilation properties of hydrogen bonded binary molecular clusters

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (43), p.26898-2697

2022

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First-principles quantum Monte Carlo studies for prediction of double minima for positronic hydrogen molecular dianion

The Journal of chemical physics, 2020-12, Vol.153 (22), p.224305-224305

2020

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Quantitative Atlas of Blood–Brain Barrier Transporters, Receptors, and Tight Junction Proteins in Rats and Common Marmoset

Journal of pharmaceutical sciences, 2013-09, Vol.102 (9), p.3343-3355

2013

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Selective Protein Expression Changes of Leukocyte-Migration-Associated Cluster of Differentiation Antigens at the Blood–Brain Barrier in a Lipopolysaccharide-Induced Systemic Inflammation Mouse Model without Alteration of Transporters, Receptors or Tight Junction-Related Protein

Biological and Pharmaceutical Bulletin, 2019/06/01, Vol.42(6), pp.944-953

2019

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Stability and bonding nature of positronic lithium molecular dianion

The Journal of chemical physics, 2023-05, Vol.158 (20)

2023

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Theoretical analysis of geometry and NMR isotope shift in hydrogen-bonding center of photoactive yellow protein by combination of multicomponent quantum mechanics and ONIOM scheme

The Journal of chemical physics, 2014-11, Vol.141 (18), p.185101-185101

2014

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Development of anharmonic vibrational structure theory using backflow transformation

Chemical physics letters, 2022-01, Vol.787, p.139263, Article 139263

2022

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Nuclear quantum effect and H/D isotope effect on F + (H2O)n → FH + (H2O)n−1OH (n = 1-3) reactions

The Journal of chemical physics, 2016-10, Vol.145 (16), p.164310-164310

2016

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Decomposition analysis on the excitation behaviors of thiazolothiazole (TTz)-based dyes via the time-dependent dielectric density functional theory approach

RSC advances, 2022-11, Vol.12 (53), p.34685-34693

2022

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Quantum fluctuations of a fullerene cage modulate its internal magnetic environment

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (3), p.1673-1684

2018

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Path Integral Molecular Dynamics Study on NH4+(H2O)

Few-body systems, 2021-12, Vol.62 (4)

2021

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Determination of Intrinsic Creatine Transporter (Slc6a8) Activity and Creatine Transport Function of Leukocytes in Rats

Biological and Pharmaceutical Bulletin, 2020/03/01, Vol.43(3), pp.474-479

2020

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Theoretical investigation of the enhancement of positron affinity by the vibration and dimerization of non-polar carbon disulfide

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (38), p.21512-2152

2021

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A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

The Journal of chemical physics, 2016-08, Vol.145 (6)

2016

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Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: An ab initio path integral molecular dynamics study

Computational and theoretical chemistry, 2022-02, Vol.1208, p.113542, Article 113542

2022

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Path Integral Molecular Dynamics Study on $$\hbox {NH}_4{}^+ (\hbox {H}_2\hbox {O})

Few-body systems, 2021-12, Vol.62 (4), Article 96

2021

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Quantum Stabilization of the Frustrated Hydrogen Bonding Structure in the Hydrogen Fluoride Trimer

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-09, Vol.123 (37), p.7950-7955

2019

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Inner Blood-Retinal Barrier Transporters: Role of Retinal Drug Delivery

Pharmaceutical research, 2009-09, Vol.26 (9), p.2055-2065

2009

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The blood‐brain barrier fatty acid transport protein 1 (FATP1/SLC27A1) supplies docosahexaenoic acid to the brain, and insulin facilitates transport

Journal of neurochemistry, 2017-05, Vol.141 (3), p.400-412

2017

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SLC6A and SLC16A family of transporters: Contribution to transport of creatine and creatine precursors in creatine biosynthesis and distribution

Biochimica et biophysica acta. Biomembranes, 2022-03, Vol.1864 (3), p.183840-183840, Article 183840

2022

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Theoretical study of the effect of nonlocal short-range exchange on calculations of molecular excitation energies in the dielectric screened-exchange method

A theoretical study on solvatofluorochromic asymmetric thiazolothiazole (TTz) dyes using dielectric-dependent density functional theory

Multi-component configuration interaction study for positron–molecule compounds: benchmark calculations of positron binding in polar and non-polar molecules

Transport Characteristics of Placenta-Derived Extracellular Vesicles and Their Relevance to Placenta-to-Maternal Tissue Communication

A path integral molecular dynamics study on the muoniated xanthene-thione molecule

A comprehensive theoretical study of positron binding and annihilation properties of hydrogen bonded binary molecular clusters

First-principles quantum Monte Carlo studies for prediction of double minima for positronic hydrogen molecular dianion

Quantitative Atlas of Blood–Brain Barrier Transporters, Receptors, and Tight Junction Proteins in Rats and Common Marmoset

Selective Protein Expression Changes of Leukocyte-Migration-Associated Cluster of Differentiation Antigens at the Blood–Brain Barrier in a Lipopolysaccharide-Induced Systemic Inflammation Mouse Model without Alteration of Transporters, Receptors or Tight Junction-Related Protein

Stability and bonding nature of positronic lithium molecular dianion

Theoretical analysis of geometry and NMR isotope shift in hydrogen-bonding center of photoactive yellow protein by combination of multicomponent quantum mechanics and ONIOM scheme

Development of anharmonic vibrational structure theory using backflow transformation

Nuclear quantum effect and H/D isotope effect on F + (H2O)n → FH + (H2O)n−1OH (n = 1-3) reactions

Decomposition analysis on the excitation behaviors of thiazolothiazole (TTz)-based dyes via the time-dependent dielectric density functional theory approach

Quantum fluctuations of a fullerene cage modulate its internal magnetic environment

Path Integral Molecular Dynamics Study on NH4+(H2O)

Determination of Intrinsic Creatine Transporter (Slc6a8) Activity and Creatine Transport Function of Leukocytes in Rats

Theoretical investigation of the enhancement of positron affinity by the vibration and dimerization of non-polar carbon disulfide

A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: An ab initio path integral molecular dynamics study

Path Integral Molecular Dynamics Study on $$\hbox {NH}_4{}^+ (\hbox {H}_2\hbox {O})

Quantum Stabilization of the Frustrated Hydrogen Bonding Structure in the Hydrogen Fluoride Trimer

Inner Blood-Retinal Barrier Transporters: Role of Retinal Drug Delivery

The blood‐brain barrier fatty acid transport protein 1 (FATP1/SLC27A1) supplies docosahexaenoic acid to the brain, and insulin facilitates transport

SLC6A and SLC16A family of transporters: Contribution to transport of creatine and creatine precursors in creatine biosynthesis and distribution

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