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Barium Oxide Encapsulating Cobalt Nanoparticles Supported on Magnesium Oxide: Active Non-noble Metal Catalyst for Ammonia Synthesis under Mild Reaction Condition

Katsutoshi Sato, Shin-ichiro Miyahara, Kotoko Tsujimaru, Yuichiro Wada, Takaaki Toriyama, Tomokazu Yamamoto, Syo Matsumura, Koji Inazu, Hirono Mohri, Takeshi Iwasa, Tetsuya Taketsugu, Katsutoshi Nagaoka

Version 1 posted 25 February 2021

690

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Theoretical and Computational Chemistry

Working Paper

SERS Comparison from Au, Ag, and Au-Ag Alloys: Insights by the First Principles

Masato Takenaka, Yoshikazu Hashimoto, Takeshi Iwasa, Tetsuya Taketsugu, Gediminas Seniutinas, Armandas Balcytis, Saulius Juodkazis, Yoshiaki Nishijima

Version 1 posted 11 April 2018

1,079

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Theoretical and Computational Chemistry

Working Paper

Extension of Natural Reaction Orbital Approach to Multiconfigurational Wavefunctions

Shuichi Ebisawa, Takuro Tsutsumi, Tetsuya Taketsugu

Version 1 posted 09 May 2022

139

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Physical Chemistry

Working Paper

Observations and Theories of Quantum Effects in Proton Transfer Electrode Processes

Ken Sakaushi, Andrey Lyalin, Tetsuya Taketsugu

Version 1 posted 16 August 2019

781

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Polymer Science

Working Paper

Development of Complete Enumeration Program for Polymer Structural Isomers: A Case of Nylon-n (n = 3-10)

Gikyo Usuki, Takuro Tsutsumi, Kohei Hasebe, Masato Kobayashi, Keitaro Matsuoka, Tetsuya Taketsugu, Kazuki Sada

Version 1 posted 24 May 2024

199

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Theoretical and Computational Chemistry

Working Paper

Energy-Based Automatic Determination of Buffer Region in the Divide-and-Conquer Second-Order Møller-Plesset Perturbation Theory

Toshikazu Fujimori, Masato Kobayashi, Tetsuya Taketsugu

Version 2 posted 01 February 2021

406

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Catalysis

Working Paper

Computational Design of Main-Group Catalysts for Low-Temperature Methane Combustion by Ozone

Shunsaku Yasumura, Kenichiro Saita, Takumi Miyakage, Kenichi Kon, Takashi Toyao, Zen Maeno, Tetsuya Taketsugu, Ken-ichi Shimizu

Version 1 posted 23 August 2022

405

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2

Citations

Theoretical and Computational Chemistry

Working Paper

Natural reaction orbitals

Suichi Ebisawa, Msatoshi Hasebe, Takuro Tsutsumi, Takao Tsuneda, Tetsuya Taketsugu

Version 1 posted 16 August 2021

511

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1

Citations

Catalysis

Working Paper

Predicting Catalytic Activity for CH4 Combustion on Pd-exchanged Zeolite Catalysts Using Automated Reaction Route Mapping

Shiho Sakuma, Shunsaku Yasumura, Kenichiro Saita, Tetsuya Taketsugu, Masaru Ogura

Version 2 posted 02 April 2025

43

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Refine Search

9 results in Tetsuya Taketsugu in Authors: Tetsuya Taketsugu

Barium Oxide Encapsulating Cobalt Nanoparticles Supported on Magnesium Oxide: Active Non-noble Metal Catalyst for Ammonia Synthesis under Mild Reaction Condition

SERS Comparison from Au, Ag, and Au-Ag Alloys: Insights by the First Principles

Extension of Natural Reaction Orbital Approach to Multiconfigurational Wavefunctions

Observations and Theories of Quantum Effects in Proton Transfer Electrode Processes

Development of Complete Enumeration Program for Polymer Structural Isomers: A Case of Nylon-n (n = 3-10)

Energy-Based Automatic Determination of Buffer Region in the Divide-and-Conquer Second-Order Møller-Plesset Perturbation Theory

Computational Design of Main-Group Catalysts for Low-Temperature Methane Combustion by Ozone

Natural reaction orbitals

Predicting Catalytic Activity for CH4 Combustion on Pd-exchanged Zeolite Catalysts Using Automated Reaction Route Mapping

9 results in Authors: Tetsuya Taketsugu