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Tracking C-H activation with orbital resolution

Raphael Jay, Ambar Banerjee, Torsten Leitner, Ru-Pan Wang, Jessica Harich, Robert Stefanuik, Hampus Wikmark, Michael Coates, Emma Beale, Victoria Kabanova, Abdullah Kahraman, Anna Wach, Dmitry Ozerov, Christopher Arrell, Philip Johnson, Camelia Borca, Claudio Cirelli, Camila Bacellar, Christopher Milne, Nils Huse, Grigory Smolentsev, Thomas Huthwelker, Michael Odelius, Philippe Wernet

Version 1 posted 17 January 2023

488

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1

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Materials Science

Working Paper

A computational study of APTES surface functionalization of diatom-like amorphous SiO2 surfaces for heavy metal adsorption

Jose Julio Gutierrez Moreno, Ke Pan, Yu Wang, Wenjin Li

Version 1 posted 23 March 2020

815

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1

Citations

Theoretical and Computational Chemistry

Working Paper

CarbonAI, A Non-Docking Deep learning based small molecule virtual screening platform

Junfeng Wu, Kevin Jin, Yang Jiao, Xiaojie Wang, Siwei Li, Lurong Pan

Version 2 posted 28 March 2023

427

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1

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Polymer Science

Working Paper

Surface sulfation of crab chitin for anisotropic swelling and nanodispersion

Xijun Wang, Pan Chen, Xiao Feng, Chao Dang, Baofeng Lin, Yoshiharu Nishiyama, Haisong Qi

Version 1 posted 04 February 2022

228

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Materials Chemistry

Working Paper

Supervariate ceramics: ice-like solids, stress-induced liquefaction, and biomineralization

Jie Pan, Chong Wang, Jing Zhong, Hongkun Li, Zhengtao Xu, Jian Lu, Yang Yang LI

Version 1 posted 02 May 2022

168

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Inorganic Chemistry

Working Paper

Electroreductive Olefin-Ketone Coupling

Pengfei Hu, Byron Peters, Christian A. Malapit, Julien Vantourout, Pan Wang, Jinjun Li, Lucas Mele, Pierre-Georges Echeverria, Shelley D. Minteer, Phil Baran

Version 1 posted 27 October 2020

2,211

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Materials Science

Working Paper

Electrospun Polyacrylonitrile Silver Nanoparticle (PAN-AgNP) Nanocomposites as Alternative Antimicrobial Materials

William Wang, Chieh-Yu Pan, Eng-Yen Huang, Bai-Jing Peng, Jonathan Hsu, Jude Clapper

Version 2 posted 26 September 2022

154

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Catalysis

Working Paper

Low-temperature ammonia synthesis on electron-rich [RuH6] catalytic centers

Jaysree Pan, Qianru Wang, Jianping Guo, Heine Anton Hansen, Ping Chen, Tejs Vegge

Version 1 posted 17 September 2021

345

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Physical Chemistry

Working Paper

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

Wenxin Hu, Pengfei Li, Jia-Ning Wang, Yuanfei Xue, Yan Mo, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei

Version 1 posted 29 July 2020

268

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Organic Chemistry

Working Paper

General, Straightforward, and Atom-Economical Synthesis of Vinyl Triflimides

Lei Hao, Qianwen Pan, Congdi Zhang, Sen Wang, Weilin Wang, Junjie Zhang, Lu Bai, Youliang Wang

Version 1 posted 11 June 2021

305

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Refine Search

37 results in Pan Wang in Authors: Pan Wang

Tracking C-H activation with orbital resolution

A computational study of APTES surface functionalization of diatom-like amorphous SiO2 surfaces for heavy metal adsorption

CarbonAI, A Non-Docking Deep learning based small molecule virtual screening platform

Surface sulfation of crab chitin for anisotropic swelling and nanodispersion

Supervariate ceramics: ice-like solids, stress-induced liquefaction, and biomineralization

Electroreductive Olefin-Ketone Coupling

Electrospun Polyacrylonitrile Silver Nanoparticle (PAN-AgNP) Nanocomposites as Alternative Antimicrobial Materials

Low-temperature ammonia synthesis on electron-rich [RuH6] catalytic centers

Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States

General, Straightforward, and Atom-Economical Synthesis of Vinyl Triflimides

37 results in Authors: Pan Wang