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Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21

Nature communications, 2021-10, Vol.12 (1), p.6141-6141, Article 6141

2021

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Allosteric regulation of β-reaction stage I in tryptophan synthase upon the α-ligand binding

The Journal of chemical physics, 2023-03, Vol.158 (11), p.115101-115101

2023

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Anharmonic Vibrational Calculations Based on Group-Localized Coordinates: Applications to Internal Water Molecules in Bacteriorhodopsin

Journal of chemical theory and computation, 2021-08, Vol.17 (8), p.5007-5020

2021

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Optimized coordinates in vibrational coupled cluster calculations

The Journal of chemical physics, 2014-04, Vol.140 (15), p.204118

2014

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Infrared Spectra of Protonated Water Clusters, H+(H2O)4, in Eigen and Zundel Forms Studied by Vibrational Quasi-Degenerate Perturbation Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (12), p.2386-2398

2017

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Anharmonic Vibrational Analysis of Biomolecules and Solvated Molecules Using Hybrid QM/MM Computations

Journal of chemical theory and computation, 2019-03, Vol.15 (3), p.1924-1938

2019

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Optimized coordinates for anharmonic vibrational structure theories

The Journal of chemical physics, 2012-11, Vol.137 (20), p.204118-204118

2012

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Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene

The Journal of chemical physics, 2014-02, Vol.140 (8), p.084113-084113

2014

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Weight average approaches for predicting dynamical properties of biomolecules

Current opinion in structural biology, 2022-02, Vol.72, p.88-94

2022

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General Design Strategy to Precisely Control the Emission of Fluorophores via a Twisted Intramolecular Charge Transfer (TICT) Process

Journal of the American Chemical Society, 2022-11, Vol.144 (43), p.19778-19790

2022

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Unidirectional Electronic Ring Current Driven by a Few Cycle Circularly Polarized Laser Pulse: Quantum Model Simulations for Mg−Porphyrin

Journal of the American Chemical Society, 2006-05, Vol.128 (21), p.7043-7049

2006

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Amide A band is a fingerprint for water dynamics in reverse osmosis polyamide membranes

Journal of membrane science, 2020-02, Vol.596, p.117705, Article 117705

2020

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Fermi resonance in solid CO2 under pressure

The Journal of chemical physics, 2013-02, Vol.138 (7), p.074501-074501

2013

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Weight-Averaged Anharmonic Vibrational Analysis of Hydration Structures of Polyamide 6

The journal of physical chemistry. B, 2017-06, Vol.121 (24), p.6050-6063

2017

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Detection of Sphingomyelin Clusters by Raman Spectroscopy

Biophysical journal, 2016-09, Vol.111 (5), p.999-1007

2016

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Transforming Growth Factor-β Induces Interleukin-6 Secretion from Human Ligamentum Flavum-Derived Cells through Partial Activation of p38 and p44/42 Mitogen-Activated Protein Kinases

Asian Spine Journal, 2023, 17(6), , pp.997-1003

2023

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A Technical Pitfall of Decompression with Direct Repair of a Ragged Edge Using the Smiley-Face Rod Method : A Case Report

The Journal of Medical Investigation, 2022, Vol.69(3.4), pp.308-311

2022

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Dynamics of nitric oxide controlled by protein complex in bacterial system

Proceedings of the National Academy of Sciences - PNAS, 2017-09, Vol.114 (37), p.9888-9893

2017

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Full-endoscopic spine surgery in oldest old patients aged over 90 years:A case report

The Journal of Medical Investigation, 2024, Vol.71(1.2), pp.169-173

2024

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Multiresolution potential energy surfaces for vibrational state calculations

Theoretical chemistry accounts, 2007-09, Vol.118 (3), p.681-691

2007

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Segmental Arteries and Veins at Higher Lumbar Levels Can Intersect the Adjacent Caudal Intervertebral Disc in the Anterior Part of the Spinal Column: A Cadaveric Analysis

Asian Spine Journal, 2022, 16(1), , pp.1-8

2022

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p38 Mitogen-Activated Protein Kinase Is Involved in Interleukin-6 Secretion from Human Ligamentum Flavum-Derived Cells Stimulated by Tumor Necrosis Factor-α

Asian Spine Journal, 2021, 15(6), , pp.713-720

2021

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On the coupling strength in potential energy surfaces for vibrational calculations

Chemical physics letters, 2009-11, Vol.483 (1), p.138-142

2009

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Efficient configuration selection scheme for vibrational second-order perturbation theory

The Journal of chemical physics, 2007-07, Vol.127 (3), p.034111-034111

2007

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A weight averaged approach for predicting amide vibrational bands of a sphingomyelin bilayer

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (43), p.29113-29123

2015

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Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21

Allosteric regulation of β-reaction stage I in tryptophan synthase upon the α-ligand binding

Anharmonic Vibrational Calculations Based on Group-Localized Coordinates: Applications to Internal Water Molecules in Bacteriorhodopsin

Optimized coordinates in vibrational coupled cluster calculations

Infrared Spectra of Protonated Water Clusters, H+(H2O)4, in Eigen and Zundel Forms Studied by Vibrational Quasi-Degenerate Perturbation Theory

Anharmonic Vibrational Analysis of Biomolecules and Solvated Molecules Using Hybrid QM/MM Computations

Optimized coordinates for anharmonic vibrational structure theories

Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene

Weight average approaches for predicting dynamical properties of biomolecules

General Design Strategy to Precisely Control the Emission of Fluorophores via a Twisted Intramolecular Charge Transfer (TICT) Process

Unidirectional Electronic Ring Current Driven by a Few Cycle Circularly Polarized Laser Pulse: Quantum Model Simulations for Mg−Porphyrin

Amide A band is a fingerprint for water dynamics in reverse osmosis polyamide membranes

Fermi resonance in solid CO2 under pressure

Weight-Averaged Anharmonic Vibrational Analysis of Hydration Structures of Polyamide 6

Detection of Sphingomyelin Clusters by Raman Spectroscopy

Transforming Growth Factor-β Induces Interleukin-6 Secretion from Human Ligamentum Flavum-Derived Cells through Partial Activation of p38 and p44/42 Mitogen-Activated Protein Kinases

A Technical Pitfall of Decompression with Direct Repair of a Ragged Edge Using the Smiley-Face Rod Method : A Case Report

Dynamics of nitric oxide controlled by protein complex in bacterial system

Full-endoscopic spine surgery in oldest old patients aged over 90 years:A case report

Multiresolution potential energy surfaces for vibrational state calculations

Segmental Arteries and Veins at Higher Lumbar Levels Can Intersect the Adjacent Caudal Intervertebral Disc in the Anterior Part of the Spinal Column: A Cadaveric Analysis

p38 Mitogen-Activated Protein Kinase Is Involved in Interleukin-6 Secretion from Human Ligamentum Flavum-Derived Cells Stimulated by Tumor Necrosis Factor-α

On the coupling strength in potential energy surfaces for vibrational calculations

Efficient configuration selection scheme for vibrational second-order perturbation theory

A weight averaged approach for predicting amide vibrational bands of a sphingomyelin bilayer

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