Computational chemistry – Page 23
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ResearchCalculations predict pentagonal graphene
New carbon allotrope could have interesting physical and electrical properties
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ResearchPhotosynthesis takes the high road
Study aims for definitive answer to oxidation state questions in biological water splitting
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ResearchComputer simulations point to formamide as prebiotic intermediate in ‘Miller’ mixtures
Electric field may have provided more than just energy for primordial chemistry
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ResearchLinguistic statistics enable synthetic prophetics
A metric more commonly used by search engines to analyse language can now power organic chemistry retrosyntheses
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OpinionThe wisdom of clouds
Kai Kohlhoff discusses the promise and pitfalls of doing science with distributed computing
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FeatureModels of success
The 2013 Nobel prize in chemistry was for combining quantum and classical mechanics, as Emma Stoye discovers
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CareersCompute with confidence
Charlotte Ashley Roberts gives some advice on finding a job as a computational chemist and the importance of staying positive
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OpinionThe automatic chemist
Philip Ball considers the creation of a collective chemical brain, and what it might dream up
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ReviewSanros: strategic applications of named reactions in organic synthesis
Chemistry on your iPhone
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FeatureThe lost Boys of quantum chemistry
Dermot Martin profiles Frank Boys, an unsung hero of theoretical chemistry