「最低空軌道を用いた局所化学ポテンシャルの近似手法」の関連論文
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A Noise-Robust Data Assimilation Method for Crystal Structure Prediction Using Powder Diffraction Intensity
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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
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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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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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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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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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Theoretical study on anion-doping induced metal-insulator transition of metal oxides
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Experimental and theoretical study on initial stage of oxidation of metal clusters
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Structures and stability of metal-carbon/silicon binary clusters
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重いアリールアニオンを基軸とした新規骨格構築反応の開発
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Theoretical Proposal for Extraction of Quantum Mechanical Properties of Single Nanoparticles Based on Optical Manipulation
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EELSスペクトルの計算機シミュレーション
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Modeling System Bath Hamiltonian with a Machine Learning Approach
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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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Spectroscopy of resonance states in light proton-rich nuclei via missing mass method
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平面二次元シートに埋め込まれた低次元ケイ素材料の理論設計と動作原理の探求
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Edge expansion parallel cascade selection molecular dynamics simulation (eePaCS-MD) for investigating protein dynamics
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有機電子機能性材料の素子形成と界面伝導特性評価
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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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時間分解静電気力顕微鏡法の開発及び分子性導体における電荷輸送の可視化
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Theoretical investigation of the decay processes in photo-excited organic dye molecules
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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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Optical and thermal study of molecular thin layers on cryogenic mirrors in next-generation gravitational wave telescopes
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Density Functional Tight Binding Study of Structural Dynamics in Functional Materials
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Data assimilation for crystal structure prediction : Construction and implementation of the algorithm and its application
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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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セルロース微結晶の分散液中における構造
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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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Collapse of the N=28 shell closure : single-particle structure of 43S
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Development of efficient approximation methods in dynamical mean field theory for multi-degree-of-freedom systems
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Spectroscopy of deeply bound pionic states via 124Sn(p, 2He) reaction
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Magnetic and electronic states of spinel ferrites studied by x-ray magnetic circular dichroism
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準剛体球系ガラスの脱ガラス化メカニズムの解明
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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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Nuclear structure at the border of the island of inversion : in-beam γ-ray spectroscopy of 30Mg
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Experimental and theoretical studies toward stronger molecular orientation with an all-optical technique
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13族元素含有有機金属錯体の特異な光学特性の機構解明
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A spectroscopic study of 229-Th isomer using TES microcalorimeters
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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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Geant4-DNAを用いた水放射線分解生成種の定量評価
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Development of wavefunction theory for the excited states of π-conjugated molecular aggregates and its application
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Angle-resolved photoemission spectroscopy studies of electronic structure and its relationship to transport properties of iron-based superconductors
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Study of J/ψ production in 12GeV proton-nucleus collisions
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Novel properties of the optical conductivity due to electric-dipole-induced magnetic transitions in the Hubbard model
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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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STUDY FOR THE EXPERIMENTAL ANALYSIS OF NEUTRON TRANSPORT AND TRITIUM BREEDING PERFORMANCE INSIDE FUSION REACTOR BLANKET
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特異な構造をもつ有機分子の電子的性質
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Studies on Aerosol Chemical Compositions and Mixing States with Black Carbon
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計算化学的手法による有機物・無機物の熱物性・輸送特性予測
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Anion photoelectron spectroscopy and ion mobility mass spectrometry on chemically-synthesized gold clusters in gas phase