Results 1 to 10 of about 663,798 (288)
Elucidation of chemical phenomena by means of computational chemistry [PDF]
, 2005 Stanislav Ivan
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Chemistry-informed macromolecule graph representation for similarity computation, unsupervised and supervised learning [PDF]
, 2022 Somesh Mohapatra +2 more
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Chemical research projects office: An overview and bibliography, 1975-1980 [PDF]
The activities of the Chemical Research Projects Office at Ames Research Center, Moffett Field, California are reported. The office conducts basic and applied research in the fields of polymer chemistry, computational chemistry, polymer physics, and ...
Heimbuch, A. H. +2 more
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Open-Source Machine Learning in Computational Chemistry. [PDF]
J Chem Inf Model, 2023 Hagg A, Kirschner KN.
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Merging enzymatic and synthetic chemistry with computational synthesis planning [PDF]
, 2022 Itai Levin +3 more
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Linear-Scaling Quantum Circuits for Computational Chemistry. [PDF]
J Chem Theory Comput, 2023 Magoulas I, Evangelista FA.
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Computational Inorganic and Analytical Chemistry
CHIMIA, 1994 Our research activity in computational chemistry at the university of Fribourg is briefly presented including topics like: Electronic structure calculation of coordination compounds, density functional theory, multiplet structure calculation ...
Claude Daul
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Computational chemistry-assisted design of hydrazine-based fluorescent molecular rotor for viscosity sensors. [PDF]
Smart Mol, 2023 Dong M +7 more
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