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The integration of solid-form informatics into solid-form selection.
- Published in:
- Journal of Pharmacy & Pharmacology, 2015, v. 67, n. 6, p. 857, doi. 10.1111/jphp.12394
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- Article
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism.
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- Angewandte Chemie International Edition, 2013, v. 52, n. 26, p. 6629, doi. 10.1002/anie.201301938
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- Article
First-principles modeling of molecular crystals: structures and stabilities, temperature and pressure.
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- WIREs: Computational Molecular Science, 2017, v. 7, n. 1, p. n/a, doi. 10.1002/wcms.1294
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- Article
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism.
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- Angewandte Chemie, 2013, v. 125, n. 26, p. 6761, doi. 10.1002/ange.201301938
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- Article
Efficient DNA Condensation by a C<sub>3</sub>‐Symmetric Codeine Scaffold.
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- ChemPlusChem, 2019, v. 84, n. 1, p. 38, doi. 10.1002/cplu.201800480
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- Article
Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone.
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- Journal of Applied Crystallography, 2013, v. 46, n. 3, p. 656, doi. 10.1107/S0021889813006225
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- Article
Report on the sixth blind test of organic crystal structure prediction methods.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2016, v. 72, n. 4, p. 439, doi. 10.1107/S2052520616007447
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- Article
Generation of crystal structures using known crystal structures as analogues.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2016, v. 72, n. 4, p. 530, doi. 10.1107/S2052520616006533
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- Article
Hydrogen bonding at C=Se acceptors in selenoureas, selenoamides and selones.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2016, v. 72, n. 3, p. 317, doi. 10.1107/S2052520616003644
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- Article
Sixth blind test of organic crystal-structure prediction methods.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2014, v. 70, n. 4, p. 776, doi. 10.1107/S2052520614015923
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- Article