Bond Dissociation Energies and Radical Stabilization Energies:  An Assessment of Contemporary Theoretical Procedures von Menon, Ambili S, Wood, Geoffrey P. F, Moran, Damian, Radom, Leo

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Harnessing Cloud Architecture for Crystal Structure Prediction Calculations von Zhang, Peiyu, Wood, Geoffrey P. F, Ma, Jian, Yang, Mingjun, Liu, Yang, Sun, Guangxu, Jiang, Yide A, Hancock, Bruno C, Wen, Shuhao

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Binary isobaric phase diagrams of stearyl alcohol-poloxamer 407 formulations in the molten and solid state von Mehio, Nada, Frericks Schmidt, Heather L., Wood, Geoffrey P.F., Hancock, Bruno C., Shanker, Ravi M., Bartlett, Jeremy A., Shamblin, Sheri L.

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Investigating the Role of Solvent in the Formation of Vacancies on Ibuprofen Crystal Facets von Marinova, Veselina, Wood, Geoffrey P. F, Marziano, Ivan, Salvalaglio, Matteo

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Dynamics and Thermodynamics of Ibuprofen Conformational Isomerism at the Crystal/Solution Interface von Marinova, Veselina, Wood, Geoffrey P. F, Marziano, Ivan, Salvalaglio, Matteo

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Assessment of machine learning approaches for predicting the crystallization propensity of active pharmaceutical ingredients von Ghosh, Ayana, Louis, Lydie, Arora, Kapildev K, Hancock, Bruno C, Krzyzaniak, Joseph F, Meenan, Paul, Nakhmanson, Serge, Wood, Geoffrey P. F

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A restricted-open-shell complete-basis-set model chemistry von Wood, Geoffrey P. F., Radom, Leo, Petersson, George A., Barnes, Ericka C., Frisch, Michael J., Montgomery, John A.

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Kinetic Modeling of API Oxidation: (2) Imipramine Stress Testing von Wu, Haoyang, Grinberg Dana, Alon, Ranasinghe, Duminda S, Pickard, Frank C, Wood, Geoffrey P. F, Zelesky, Todd, Sluggett, Gregory W, Mustakis, Jason, Green, William H

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Kinetic Modeling of API Oxidation: (1) The AIBN/H2O/CH3OH Radical “Soup” von Grinberg Dana, Alon, Wu, Haoyang, Ranasinghe, Duminda S, Pickard, Frank C, Wood, Geoffrey P. F, Zelesky, Todd, Sluggett, Gregory W, Mustakis, Jason, Green, William H

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Identifying Conformational Isomers of Organic Molecules in Solution via Unsupervised Clustering von Marinova, Veselina, Dodd, Laurence, Lee, Song-Jun, Wood, Geoffrey P. F, Marziano, Ivan, Salvalaglio, Matteo

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Solvation of the Glycyl Radical von Chan, Bun, Rintelman, Jamie, Wood, Geoffrey P. F, Radom, Leo, Gordon, Mark S

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Crystal structures of anhydrous and hydrated ceftibuten von Nisbet, Matthew L, Puzan, Marissa, Wojtas, Lukasz, Samas, Brian, Wood, Geoffrey P F

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Drug–Excipient Interactions in the Solid State: The Role of Different Stress Factors von Gressl, Corinna, Brunsteiner, Michael, Davis, Adrian, Landis, Margaret, Pencheva, Klimentina, Scrivens, Garry, Sluggett, Gregory W, Wood, Geoffrey P. F, Gruber-Woelfler, Heidrun, Khinast, Johannes G, Paudel, Amrit

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Molecular Investigation of the Mechanism of Non-Enzymatic Hydrolysis of Proteins and the Predictive Algorithm for Susceptibility von Lauer, Timothy M, Wood, Geoffrey P. F, Farkas, David, Sathish, Hasige A, Samra, Hardeep S, Trout, Bernhardt L

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Mechanistic Insights into Radical-Mediated Oxidation of Tryptophan from ab Initio Quantum Chemistry Calculations and QM/MM Molecular Dynamics Simulations von Wood, Geoffrey P. F, Sreedhara, Alavattam, Moore, Jamie M, Wang, John, Trout, Bernhardt L

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Templated Nucleation of Acetaminophen on Spherical Excipient Agglomerates von Quon, Justin L, Chadwick, Keith, Wood, Geoffrey P. F, Sheu, Iris, Brettmann, Blair K, Myerson, Allan S, Trout, Bernhardt L

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Reactions of Benzene and 3‑Methylpyrrole with the •OH and •OOH Radicals: An Assessment of Contemporary Density Functional Theory Methods von Wood, Geoffrey P. F, Sreedhara, Alavattam, Moore, Jamie M, Trout, Bernhardt L

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Secondary Structure Assignment of Amyloid-β Peptide Using Chemical Shifts von Wood, Geoffrey P. F, Rothlisberger, Ursula

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Leveraging Language Model Multitasking To Predict C–H Borylation Selectivity von Kotlyarov, Ruslan, Papachristos, Konstantinos, Wood, Geoffrey P. F., Goodman, Jonathan M.

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Insights and Challenges in Correcting Force Field Based Solvation Free Energies Using a Neural Network Potential von Karwounopoulos, Johannes, Wu, Zhiyi, Tkaczyk, Sara, Wang, Shuzhe, Baskerville, Adam, Ranasinghe, Kavindri, Langer, Thierry, Wood, Geoffrey P. F., Wieder, Marcus, Boresch, Stefan

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