Description
Finding the elusive hydrogen atoms (how computational chemistry can help)| Period | 2007 |
|---|---|
| Event type | Conference |
| Location | Canterbury, United KingdomShow on map |
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Research output
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A symmetric hydrogen bond revisited: Potassium hydrogen maleate by variable temperature, variable pressure neutron diffraction and plane-wave DFT methods
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Effect of pressure on the crystal structure of L-serine-I and the crystal structure of L-serine-II at 5.4 GPa
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Nitric acid dihydrate at ambient and high pressure: An experimental and computational study
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A new polymorph of N,N'-dimethylurea characterized by X-ray diffraction and first-principles lattice dynamics calculations
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Interpreting molecular crystal disorder in plumbocene, Pb(C5H5)2: Insight from theory
Research output: Contribution to journal › Article › peer-review
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Temperature- and Pressure-induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4 '-Bipyridine
Research output: Contribution to journal › Article › peer-review
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Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system
Research output: Contribution to journal › Article › peer-review