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Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|October 15, 2024
Assessment of the exchange-hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind testR Alex Mayo, Alastair J A Price, Alberto Otero-de-la-Roza, et al.Crystal Growth & Design|December 11, 2023
Effect of [n]-Helicene Length on Crystal PackingJulia A Schmidt, Emma H Wolpert, Grace M Sparrow, et al.Organic Letters|October 11, 2017
Hydroboration Catalyzed by 1,2,4,3-TriazaphospholenesChieh-Hung Tien, Matt R Adams, Michael J Ferguson, et al.Journal of the American Chemical Society|April 17, 2010
Revealing noncovalent interactionsErin R Johnson, Shahar Keinan, Paula Mori-Sánchez, et al.Journal of Chemical Theory and Computation|April 28, 2025
Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional TheoryTianbo Li, Min Lin, Stephen G Dale, et al.Angewandte Chemie (International Ed. in English)|June 12, 2014
Predicting the relative solubilities of racemic and enantiopure crystals by density-functional theoryAlberto Otero-de-la-Roza, Blessing Huynh Cao, Ivy K Price, et al.Psychological Assessment|August 24, 2023
Measurement invariance of the Center for Epidemiologic Studies Scale-Depression within and across six diverse intervention trialsIrina Bergenfeld, Nadine J Kaslow, Kathryn M Yount, et al.The Journal of Physical Chemistry. A|March 17, 2012
Anion photoelectron spectra and ab initio calculations of the iodide-carbon monoxide clusters: I(-)···(CO)(n), n = 1-4Kim M Lapere, Robert J LaMacchia, Lin H Quak, et al.Chemical Science|October 8, 2025
Silver(i)-mediated oxazoline formation: a mild route to 2,4-oxazoles in peptidesAdam S Pickett, Jacob W Campbell, Katherine M Cox, et al.The Journal of Chemical Physics|March 23, 2022
A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphismJoseph A Weatherby, Adrian F Rumson, Alastair J A Price, et al.Pageof 15