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Beskrivelse: Cambridge Centre for Computational Chemistry Homepage
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Studies the connections between quantum computation and chemistry, theoretical studies of renewable energy materials, and method development for density functional ...
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Ab initio quantum chemistry, molecular response properties, and nonlinear optical properties.
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Simulations of biochemical reactions in solution, in proteins, and at membrane interfaces through statistical and quantum mechanics (University of California at San ...
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Ab initio quantum chemistry, molecular response properties, and explicitly correlated electronic wavefunctions.
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The Insitute of Astronomy is a department of the University of Cambridge and is engaged in teaching and research in the fields of theoretical and observational ...
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Adsorption on ionic crystal surfaces, the Orient program for calculating structures and properties of weakly-bound systems, and the development of simple but ...
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University of Cambridge, Department of Physics.
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Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literature
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