「液体の積分方程式理論に基づく溶媒和分子のプロトン化状態の理論的記述手法の開発」の関連論文
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液体の積分方程式理論による溶媒が生体分子の機能と構造に及ぼす影響の理論的研究
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分子性液体の積分方程式理論に基づく溶液内分子の相対論的電子状態理論の開発
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Density Functional Tight Binding Study of Structural Dynamics in Functional Materials
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Modeling System Bath Hamiltonian with a Machine Learning Approach
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液体界面における電気化学および和周波分光の理論解析
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Ionization and dissociation dynamics of H2O in ultrashort intense near-IR laser fields by the time-dependent adiabatic state method and the time-dependent configuration interaction method
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Hydroxymethyl rhodamine類を用いた蛍光プローブの理論的設計法の開発
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Theoretical investigation of the decay processes in photo-excited organic dye molecules
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最低空軌道を用いた局所化学ポテンシャルの近似手法
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A Noise-Robust Data Assimilation Method for Crystal Structure Prediction Using Powder Diffraction Intensity
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セルロース微結晶の分散液中における構造
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2次元グランドカノニカルレプリカ交換法による単原子分子の気体、液体、超臨界流体の解析
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枯渇効果によるバクテリオロドプシン2次元結晶形成の理論研究による検討
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Studies on vibrational energy transfer in proteins by utilizing the characteristic three-dimensional structures
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Unimolecular reaction control by ω-2ω intense laser pulses studied by ion momentum imaging
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Experimental and theoretical studies toward stronger molecular orientation with an all-optical technique
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ハロベンゼンと二酸化炭素との分子間相互作用の解析
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Research toward Functionalization of Triphenylmethyl Radical by Chemical Modification
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Development of wavefunction theory for the excited states of π-conjugated molecular aggregates and its application
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量子化学計算と固体NMRを用いた新規無機物質の構造解析
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Space Selective Spin-Correlated Polarization Components Observed by Solid-State NMR with High-Field Dynamic Nuclear Polarization and Magic-Angle Spinning
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Development of anharrnonic vibrational structure theory using backflow transformation
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Edge expansion parallel cascade selection molecular dynamics simulation (eePaCS-MD) for investigating protein dynamics
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赤外吸収スペクトルの理論解析手法の開発とタンパク質の静的・動的構造解析への応用
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フラグメント分子軌道法と教師無し学習を用いたタンパク質-リガンド間相互作用解析
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新規な結合様式を持つ高周期典型元素化合物の反応解析
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光・磁気・電気的特性を複合的に示す新規分子性物質の開発
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Development of efficient approximation methods in dynamical mean field theory for multi-degree-of-freedom systems
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Theoretical study on anion-doping induced metal-insulator transition of metal oxides
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Development of a novel method for time-resolved-diffusion detection of protein reactions and its application
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Chemistry on Flapping Fluorophores That Bridges Photochemistry and Polymer Mechanochemistry
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Collapse of the N=28 shell closure : single-particle structure of 43S
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Experimental and theoretical study on initial stage of oxidation of metal clusters
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時間分解赤外分光を用いた熱活性化遅延蛍光分子の構造ダイナミクスの研究
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Data assimilation for crystal structure prediction : Construction and implementation of the algorithm and its application
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Cube-shaped Molecular Assemblies in Water via Weak Interactions : A Design Principle, Properties, and Potential Applications
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クライオ電子顕微鏡法を用いたベイズ推定に基づくらせん構造決定手法に関する研究
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A study on the development of population balance analysis for solid particle growth in multicomponent chemical reaction
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Theoretical Proposal for Extraction of Quantum Mechanical Properties of Single Nanoparticles Based on Optical Manipulation
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レーザー二光子イオン化法を用いた水面における多環芳香族炭化水素の分析
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Molecular Rheology of Supramolecular Networks Formed by Temporary and Topological Crosslinks
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Studies on Aerosol Chemical Compositions and Mixing States with Black Carbon
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X線回折による単純分子ガラスおよび液体の局所構造研究
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Optical and thermal study of molecular thin layers on cryogenic mirrors in next-generation gravitational wave telescopes
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Seed-initiated Assembly of π-Conjugated Molecules in Aqueous Media
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Theoretical Study of Quantum Systems Coupled with Multiple Baths: Application to μSR and Nonlinear Vibrational Spectroscopies
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湿式成形プロセス最適化に必要なスラリー特性の解明とその評価手法の開発に関する研究
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Functional Renormalization Group Study on Kitaev Quantum Spin Liquid
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発光磁場効果に基づく光生成電荷の反応解析と機能開拓に関する研究
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Photoelectron-ion correlation created by photoionization of H2 and correlated molecule-photon dynamics in a cavity