Multiscale methods in drug design bridge chemical and biological complexity in the search for cures | Nature Reviews Chemistry
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Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage | Scientific Reports
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PAICS - parallelized ab initio calculation system based on FMO
6 Chemical Theory and Computer Modeling: From Computational Chemistry to Process Systems Engineering | Beyond the Molecular Frontier: Challenges for Chemistry and Chemical Engineering |The National Academies Press
Computational Chemistry: The Fate of Current Methods and Future Challenges - Grimme - 2018 - Angewandte Chemie International Edition - Wiley Online Library
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In silico environmental chemical science: properties and processes from statistical and computational modelling - Environmental Science: Processes & Impacts (RSC Publishing) DOI:10.1039/C7EM00053G
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Quantum chemistry simulations offers beguiling possibility of 'solving chemistry' | Research | Chemistry World
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Methods for computational chemistry | Nature
Computational Quantum Chemistry: Molecular Structure and Properties In Silico (Chemical Biology) 1, McDouall, Joseph J W - Amazon.com
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