Submissions from 2021
Buffered Coordination Modulation as a Means of Controlling Crystal Morphology and Molecular Diffusion in an Anisotropic Metal–Organic Framework, Kristen Colwell, Megan N. Jackson, Rodolfo Torres-Gavosto, Sudi Jawahery, Bess Vlaisavljevich, Joseph Falkowski, Berend Smit, Simon M. Weston, and Jeffery R. Long
Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters, Alex A. Fertig, S M Gulam Rabbani, Melissa D. Koch, William W. Brennessel, Pere Miro, and Ellen M. Matson
Structural Characterization of the [CuOR]2+ Core, V. Mahesh Krishnan; Dmitar Y., Shopov; Caitlin J. Bouchey; Wilson D. Bailey; Riffat Parveen; Bess Vlaisavljevich; and William B. Tolman
Improved Spin-State Energy Differences of Fe(II) Molecular and Crystalline Complexes via the Hubbard U-corrected Density, Lorenzo Mariano, Bess Vlaisavljevich, and Roberta Poloni
On the Spatial Design of Co-Fed Amines for Selective Dehydration of Methyl Lactate to Acrylates, Yutong Pang, M. Alexander Ardagh, Manish Shetty, Anargyros Chatzidimitriou, Gaurav Kumar, Bess Vlaisavljevich, and Paul J. Dauenhauer
Sulfur-Containing Analogs of the Reactive [CuOH]2+ Core, Wen Wu, Jacqui Tehranchi De Hont, Riffat Parveen, Bess Vlaisavljevich, and William B. Tolman
Submissions from 2020
Application of Symmetry Functions to Large Chemical Spaces Using a Convolutional Neural Network, Balaranjan Selvaratnam, Ranjit T. Koodali, and Pere Miro
Prediction of optoelectronic properties of Cu2O using neural network potential, Balaranjan Selvaratnam, Ranjit T. Koodali, and Pere Miro