研究论文
Origins of complex solvent effects on chemical reactivity and computational tools to investigate them: a review
Jithin John Varghese, Samir H. Mushrif
Singapore-HUJ Alliance for Research and Enterprise The Cambridge Centre for Advanced Research and Education in Singapore University of Alberta Alberta Hospital Edmonton
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摘要与影响
摘要 · 完整
Origins of solvent-induced enhancement in catalytic reactivity and product selectivity are discussed with computational methods to study them.
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学术脉络
学科主题
工程Catalysis for Biomass Conversion
Asymmetric Hydrogenation and Catalysis · Surface Chemistry and Catalysis
参考文献 204
Biomolecular simulations : methods and protocols
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Multiscale Molecular Methods in Applied Chemistry
被引 112Barbara Kirchner, Vrabec, Jadran · Topics in current chemistry · 2011
CO2 Capture and Conversion on Rutile TiO2(110) in the Water Environment: Insight by First-Principles Calculations
被引 73Wen‐Jin Yin, Matthias Krack, Bo Wen · The Journal of Physical Chemistry Letters · 2015
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被引 495Ali Hussain Motagamwala, James A. Dumesic · Chemical Reviews · 2020
Hybrid discrete‐continuum solvation methods
被引 109Josefredo R. Pliego, José M. Riveros · Wiley Interdisciplinary Reviews Computational Molecular Science · 2019
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