Items where Author is "Coupry, DE"

COUPRY, D.E., ADDICOAT, M.A. and HEINE, T., 2017. Explicit treatment of hydrogen bonds in the universal force field: validation and application for metal-organic frameworks, hydrates, and host-guest complexes. The Journal of Chemical Physics, 147 (16), p. 161705. ISSN 0021-9606

COUPRY, D.E., ADDICOAT, M.A. and HEINE, T., 2016. Extension of the universal force field for metal–organic frameworks. Journal of Chemical Theory and Computation, 12 (10), pp. 5215-5225. ISSN 1549-9618

HUANG, N., ZHAI, L., COUPRY, D.E., ADDICOAT, M.A., OKUSHITA, K., NISHIMURA, K., HEINE, T. and JIANG, D., 2016. Multiple-component covalent organic frameworks. Nature Communications, 7, p. 12325. ISSN 2041-1723

COUPRY, D.E., BUTSON, J., PETKOV, P.S., SAUNDERS, M., O'DONNELL, K., KIM, H., BUCKLEY, C., ADDICOAT, M., HEINE, T. and SZILÁGYI, P., 2016. Controlling embedment and surface chemistry of nanoclusters in metal–organic frameworks. Chemical Communications, 52 (29), pp. 5175-5178. ISSN 1359-7345

ADDICOAT, M.A., COUPRY, D.E. and HEINE, T., 2014. AuToGraFS: Automatic Topological Generator for Framework Structures. The Journal of Physical Chemistry A, 118 (40), pp. 9607-9614. ISSN 1089-5639