Matches in SemOpenAlex for { <https://semopenalex.org/work/W3200327076> ?p ?o ?g. }
- W3200327076 abstract "The procedure leading to the first HyDRA blind challenge for the prediction of water donor stretching vibrations in monohydrates of organic molecules is described. A training set of 10 monohydrates with experimentally known and published water donor vibrations is presented and a test set of 10 monohydrates with unknown or unpublished water donor vibrational wavenumbers is described together with relevant background literature. The rules for data submissions from computational chemistry groups are outlined and the planned publication procedure after the end of the blind challenge is discussed." @default.
- W3200327076 created "2021-09-27" @default.
- W3200327076 creator A5041282269 @default.
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- W3200327076 date "2021-09-20" @default.
- W3200327076 modified "2023-10-10" @default.
- W3200327076 title "Setting up the HyDRA blind challenge for the microhydration of organic molecules" @default.
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