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Physical Chemistry

Working Paper

Bayesian Molecular Optimization for Accelerating Reverse Intersystem Crossing

Taehyun Won, Naoya Aizawa, Yu Harabuchi, Reo Kurihara, Mitsuharu Suzuki, Satoshi Maeda, Yong-Jin Pu, Ken-ichi Nakayama

Version 1 posted 19 November 2024

189

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Theoretical and Computational Chemistry

Working Paper

Collective Coordinates and Facilitated Conformational Opening during Translocation of Human Mitochondrial RNA Polymerase (POLRMT) from Atomic Simulations

Shannon McElhenney, Jin Yu

Version 1 posted 21 November 2024

133

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Physical Chemistry

Working Paper

Kinetic Prediction of Reverse Intersystem Crossing in Organic Donor–Acceptor Molecules

Naoya Aizawa, Yu Harabuchi, Satoshi Maeda, Yong-Jin Pu

Version 2 posted 23 June 2020

943

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Theoretical and Computational Chemistry

Working Paper

A Novel Series of Single-Cluster Catalysts: Transition Metal Trimer Clusters Supported on Graphdiyne

Jin-Cheng Liu, Hai Xiao, Xiao-Kun Zhao, Nan-Nan Zhang, Yuan Liu, Deng-Hui Xing, Xiaohu Yu, Han-Shi Hu, Jun Li

Version 1 posted 30 October 2020

991

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3

Citations

Organometallic Chemistry

Working Paper

A Directive Ni Catalyst Overrides Conventional Site-Selectivity in Pyridine C–H Alkenylation

Tao Zhang, Yu-Xin Luan, Nelson Lam, Jiang-Fei Li, Yue Li, Mengchun Ye, jin-quan yu

Version 1 posted 18 November 2020

1,169

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Organic Chemistry

Working Paper

Rapid Construction of Tetralin, Chromane, and Indane Motifs via Cyclative C−H/C−H Coupling: Four-Step Total Synthesis of (±)-Russujaponol F

Zhe Zhuang, Alastair Herron, Shuang Liu, jin-quan yu

Version 1 posted 18 November 2020

1,018

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

Jin Soo Lim, Jonathan Vandermause, Matthijs A. van Spronsen, Albert Musaelian, Yu Xie, Lixin Sun, Christopher R. O’Connor, Tobias Egle, Nicola Molinari, Jacob Florian, Kaining Duanmu, Robert J. Madix, Philippe Sautet, Cynthia M. Friend, Boris Kozinsky

Version 4 posted 16 June 2020

1,782

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Organic Chemistry

Working Paper

Exploiting Chemical Diversity through C–H Activation and DNA-Encoding

Zhoulong Fan, Shuai Zhao, Tao Liu, Peng-Xiang Shen, Zi-Ning Cui, Zhe Zhuang, Qian Shao, Jason Chen, Anokha S. Ratnayake, Mark E. Flanagan, Dominik K. Kölmel, David W. Piotrowski, Paul Richardson, jin-quan yu

Version 1 posted 08 January 2020

1,377

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2

Citations

Catalysis

Working Paper

Ligand-Accelerated Non-Directed C–H Cyanation of Arenes

Luoyan Liu, Kap-Sun Yeung, jin-quan yu

Version 1 posted 11 September 2018

943

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Organic Chemistry

Working Paper

Modular, Stereocontrolled Cβ–H/Cα–C Activation of Alkyl Carboxylic Acids

Ming Shang, Karla S. Feu, Julien C. Vantourout, Lisa M. Barton, Heather L. Osswald, Nobutaka Kato, Kerstin Gagaring, Case W. McNamara, Gang Chen, Liang Hu, Shengyang Ni, Paula Fernández-Canelas, Miao Chen, Rohan R. Merchant, Tian qin, Stuart Schreiber, Bruno Melillo, jin-quan yu, Phil Baran

Version 1 posted 30 January 2019

2,175

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Refine Search

58 results in Jin Yu in Authors: Jin Yu

Bayesian Molecular Optimization for Accelerating Reverse Intersystem Crossing

Collective Coordinates and Facilitated Conformational Opening during Translocation of Human Mitochondrial RNA Polymerase (POLRMT) from Atomic Simulations

Kinetic Prediction of Reverse Intersystem Crossing in Organic Donor–Acceptor Molecules

A Novel Series of Single-Cluster Catalysts: Transition Metal Trimer Clusters Supported on Graphdiyne

A Directive Ni Catalyst Overrides Conventional Site-Selectivity in Pyridine C–H Alkenylation

Rapid Construction of Tetralin, Chromane, and Indane Motifs via Cyclative C−H/C−H Coupling: Four-Step Total Synthesis of (±)-Russujaponol F

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

Exploiting Chemical Diversity through C–H Activation and DNA-Encoding

Ligand-Accelerated Non-Directed C–H Cyanation of Arenes

Modular, Stereocontrolled Cβ–H/Cα–C Activation of Alkyl Carboxylic Acids

58 results in Authors: Jin Yu