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Chirality|August 1, 2009
A computationally inspired investigation of the solid forms of (R)-1-phenylethylammonium-(S)-2-phenylbutyrateConstantinos D Antoniadis, Emiliana D'Oria, Panagiotis G Karamertzanis, et al.
Chemical Science|February 16, 2024
Modular, multi-robot integration of laboratories: an autonomous workflow for solid-state chemistryAmy M Lunt, Hatem Fakhruldeen, Gabriella Pizzuto, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure PredictionPanagiotis G Karamertzanis, Andrei V Kazantsev, Nizar Issa, et al.
Physical Chemistry Chemical Physics : PCCP|March 19, 2013
Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopyMaria Baias, Cory M Widdifield, Jean-Nicolas Dumez, et al.
The Journal of Physical Chemistry. B|April 20, 2007
Toward the computational design of diastereomeric resolving agents: an experimental and computational study of 1-phenylethylammonium-2-phenylacetate derivativesPanagiotis G Karamertzanis, Parathy R Anandamanoharan, Phillipe Fernandes, et al.
Journal of the American Chemical Society|June 4, 2004
Characterization of complicated new polymorphs of chlorothalonil by X-ray diffraction and computer crystal structure predictionMaryjane Tremayne, Leanne Grice, James C Pyatt, et al.
Crystal Growth & Design|September 13, 2013
Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-HydrateDoris E Braun, Rajni M Bhardwaj, Jean-Baptiste Arlin, et al.
Crystal Growth & Design|January 11, 2011
Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?Doris E Braun, Panagiotis G Karamertzanis, Jean-Baptiste Arlin, et al.
Journal of the American Chemical Society|June 11, 2013
In silico design of supramolecules from their precursors: odd-even effects in cage-forming reactionsKim E Jelfs, Edward G B Eden, Jamie L Culshaw, et al.
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