Adsorption and Activation of Methane on the (110) Surface of Rutile-type Metal Dioxides von Tsuji, Yuta, Yoshizawa, Kazunari

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Influence of long-range interactions on quantum interference in molecular conduction. A tight-binding (Hückel) approach von Tsuji, Yuta, Estrada, Ernesto

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Competition between Hydrogen Bonding and Dispersion Force in Water Adsorption and Epoxy Adhesion to Boron Nitride: From the Flat to the Curved von Tsuji, Yuta, Yoshizawa, Kazunari

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Frontier Orbital Control of Molecular Conductance and its Switching von Tsuji, Yuta, Hoffmann, Roald

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Graph-theoretical exploration of the relation between conductivity and connectivity in heteroatom-containing single-molecule junctions von Okazawa, Kazuki, Tsuji, Yuta, Yoshizawa, Kazunari

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Frontier Orbital Perspective for Quantum Interference in Alternant and Nonalternant Hydrocarbons von Tsuji, Yuta, Yoshizawa, Kazunari

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Theoretical Study on the Contribution of Interfacial Functional Groups to the Adhesive Interaction between Epoxy Resins and Aluminum Surfaces von Nakamura, Shin, Yamamoto, Satoru, Tsuji, Yuta, Tanaka, Keiji, Yoshizawa, Kazunari

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Methane Activation at the Metal–Support Interface of Ni4–CeO2(111) Catalyst: A Theoretical Study von Singha, Rajib Kumar, Tsuji, Yuta, Mahyuddin, Muhammad Haris, Yoshizawa, Kazunari

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Molecular Dynamics Study on the Thermal Aspects of the Effect of Water Molecules at the Adhesive Interface on an Adhesive Structure von Nakamura, Shin, Tsuji, Yuta, Yoshizawa, Kazunari

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Effects of electron-phonon coupling on quantum interference in polyenes von Tsuji, Yuta, Yoshizawa, Kazunari

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Quantum interference in polyenes von Tsuji, Yuta, Hoffmann, Roald, Movassagh, Ramis, Datta, Supriyo

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Exploring Metal Cluster Catalysts Using Swarm Intelligence: Start with Hydrogen Adsorption von Tsuji, Yuta, Yoshioka, Yuta, Hori, Mikiya, Yoshizawa, Kazunari

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The Influence of Linkers on Quantum Interference: A Linker Theorem von Tsuji, Yuta, Stuyver, Thijs, Gunasekaran, Suman, Venkataraman, Latha

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Understanding Single-Molecule Parallel Circuits on the Basis of Frontier Orbital Theory von Okazawa, Kazuki, Tsuji, Yuta, Yoshizawa, Kazunari

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Enhancing the conductivity of molecular electronic devices von Stuyver, Thijs, Fias, Stijn, De Proft, Frank, Geerlings, Paul, Tsuji, Yuta, Hoffmann, Roald

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Lithium-Richest Phase of Lithium Tetrelides Li17Tt4 (Tt = Si, Ge, Sn, and Pb) as an Electride von Tsuji, Yuta, Hashimoto, Wataru, Yoshizawa, Kazunari

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Molecular Understanding of the Adhesive Force between a Metal Oxide Surface and an Epoxy Resin von Semoto, Takayuki, Tsuji, Yuta, Yoshizawa, Kazunari

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Exponential Attenuation of Through-Bond Transmission in a Polyene: Theory and Potential Realizations von Tsuji, Yuta, Movassagh, Ramis, Datta, Supriyo, Hoffmann, Roald

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Close relation between quantum interference in molecular conductance and diradical existence von Tsuji, Yuta, Hoffmann, Roald, Strange, Mikkel, Solomon, Gemma C.

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Helical Oligoenes: Conformations, Bond Alternation, and Competing Through-Bond and Through-Space Transmission von Tsuji, Yuta, Hoffmann, Roald

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