A restricted-open-shell complete-basis-set model chemistry GPF Wood, L Radom, GA Petersson, EC Barnes, MJ Frisch, ... The Journal of chemical physics 125 (9), 2006 | 257 | 2006 |
Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures AS Menon, GPF Wood, D Moran, L Radom The Journal of Physical Chemistry A 111 (51), 13638-13644, 2007 | 110 | 2007 |
Methyl Radical Addition to C═ S Double Bonds: Kinetic versus Thermodynamic Preferences ML Coote, GPF Wood, L Radom The Journal of Physical Chemistry A 106 (50), 12124-12138, 2002 | 96 | 2002 |
Bond dissociation energies and radical stabilization energies associated with model peptide-backbone radicals GPF Wood, D Moran, R Jacob, L Radom The Journal of Physical Chemistry A 109 (28), 6318-6325, 2005 | 82 | 2005 |
Hydrogen bond hierarchy: persistent phenol··· chloride hydrogen bonds in the presence of carboxylic acid moieties NK Duggirala, GPF Wood, A Fischer, Ł Wojtas, ML Perry, MJ Zaworotko Crystal Growth & Design 15 (9), 4341-4354, 2015 | 62 | 2015 |
Harnessing cloud architecture for crystal structure prediction calculations P Zhang, GPF Wood, J Ma, M Yang, Y Liu, G Sun, YA Jiang, BC Hancock, ... Crystal Growth & Design 18 (11), 6891-6900, 2018 | 57 | 2018 |
Templated nucleation of acetaminophen on spherical excipient agglomerates JL Quon, K Chadwick, GPF Wood, I Sheu, BK Brettmann, AS Myerson, ... Langmuir 29 (10), 3292-3300, 2013 | 39 | 2013 |
Rearrangements in Model Peptide‐Type Radicals via Intramolecular Hydrogen‐Atom Transfer D Moran, R Jacob, GPF Wood, ML Coote, MJ Davies, RAJ O'Hair, ... Helvetica chimica acta 89 (10), 2254-2272, 2006 | 39 | 2006 |
Performance of the RB3-LYP, RMP2, and UCCSD (T) procedures in calculating radical stabilization energies for• NHX radicals GPF Wood, DJ Henry, L Radom The Journal of Physical Chemistry A 107 (39), 7985-7990, 2003 | 39 | 2003 |
Prediction of the relative free energies of drug polymorphs above zero kelvin M Yang, E Dybeck, G Sun, C Peng, B Samas, VM Burger, Q Zeng, Y Jin, ... Crystal Growth & Design 20 (8), 5211-5224, 2020 | 36 | 2020 |
Assessment of machine learning approaches for predicting the crystallization propensity of active pharmaceutical ingredients A Ghosh, L Louis, KK Arora, BC Hancock, JF Krzyzaniak, P Meenan, ... CrystEngComm 21 (8), 1215-1223, 2019 | 36 | 2019 |
Nature of Glycine and Its α-Carbon Radical in Aqueous Solution: A Theoretical Investigation GPF Wood, MS Gordon, L Radom, DM Smith Journal of chemical theory and computation 4 (10), 1788-1794, 2008 | 31 | 2008 |
Dynamics and thermodynamics of Ibuprofen conformational isomerism at the crystal/solution interface V Marinova, GPF Wood, I Marziano, M Salvalaglio Journal of chemical theory and computation 14 (12), 6484-6494, 2018 | 23 | 2018 |
Drug–excipient interactions in the solid state: The role of different stress factors C Gressl, M Brunsteiner, A Davis, M Landis, K Pencheva, G Scrivens, ... Molecular Pharmaceutics 14 (12), 4560-4571, 2017 | 23 | 2017 |
Modelling nucleation from solution with the string method in the osmotic ensemble C Liu, GPF Wood, EE Santiso Molecular Physics 116 (21-22), 2998-3007, 2018 | 21 | 2018 |
Effect of side chains on competing pathways for β-scission reactions of peptide-backbone alkoxyl radicals GPF Wood, CJ Easton, A Rauk, MJ Davies, L Radom The Journal of Physical Chemistry A 110 (34), 10316-10323, 2006 | 20 | 2006 |
Secondary structure assignment of amyloid-β peptide using chemical shifts GPF Wood, U Rothlisberger Journal of chemical theory and computation 7 (5), 1552-1563, 2011 | 19 | 2011 |
Hydrogen abstraction by chlorine atom from small organic molecules containing amino acid functionalities: an assessment of theoretical procedures MS Taylor, SA Ivanic, GPF Wood, CJ Easton, GB Bacskay, L Radom The Journal of Physical Chemistry A 113 (43), 11817-11832, 2009 | 18 | 2009 |
Kinetic Modeling of API Oxidation: (1) The AIBN/H2O/CH3OH Radical “Soup” A Grinberg Dana, H Wu, DS Ranasinghe, FC Pickard IV, GPF Wood, ... Molecular Pharmaceutics 18 (8), 3037-3049, 2021 | 17 | 2021 |
Quantitative solution measurement for the selection of complexing agents to enable purification by impurity complexation CC Weber, GPF Wood, AJ Kunov-Kruse, DE Nmagu, BL Trout, ... Crystal growth & design 14 (7), 3649-3657, 2014 | 16 | 2014 |