Introduction and validation of an invariom database for amino-acid, peptide and protein molecules von Luger, P., Hübschle, C. B., Spackman, M. A., Dittrich, B.

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Azulene revisited: solid‐state structure, invariom modeling and lattice‐energy minimization of a classical example of disorder von Dittrich, B., Fabbiani, F. P. A., Henn, J., Schmidt, M. U., Macchi, P., Meindl, K., Spackman, M. A.

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Invarioms for improved absolute structure determination of light-atom crystal structures von Dittrich, B., Strumpel, M., Schäfer, M., Spackman, M. A., Koritsánszky, T.

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Theoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials:  A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bo... von Gibbs, G. V, Cox, D. F, Rosso, K. M, Ross, N. L, Downs, R. T, Spackman, M. A

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Bond Length and Local Energy Density Property Connections for Non-Transition-Metal Oxide-Bonded Interactions von Gibbs, G. V, Spackman, M. A, Jayatilaka, D, Rosso, K. M, Cox, D. F

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Molecular electric moments from x-ray diffraction data von Spackman, M. A

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Si−O Bonded Interactions in Silicate Crystals and Molecules:  A Comparison von Gibbs, G. V, Jayatilaka, D, Spackman, M. A, Cox, D. F, Rosso, K. M

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Can the interaction density be measured? The example of the non-standard amino acid sarcosine von Dittrich, B., Spackman, M. A.

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Phase measurement for accurate mapping of chemical bonds in acentric space groups von SPACKMAN, M. A, JIANG, B, GROY, T. L, HE, H, WHITTEN, A. E, SPENCE, J. C. H

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Redetermination, invariom-model and multipole refinement of l-ornithine hydrochloride von Dittrich, B., Munshi, P., Spackman, M. A.

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Properties of atoms under pressure: bonded interactions of the atoms in three perovskites von Gibbs, G V, Wang, D, Hin, C, Ross, N L, Cox, D F, Crawford, T D, Spackman, M A, Angel, R J

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How can we use intermolecular interactions in crystals? Lattice energies, predicting crystal growth and more von Spackman, P. R., Spackman, M. A., Jayatilaka, Dylan, Gale, J. D

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Molecular electric moments and electric field gradients from X-ray diffraction data: model studies von Spackman, M. A., Byrom, P. G.

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Retrieval of Structure-Factor Phases in Non-centrosymmetric Space Groups. Model Studies Using Multipole Refinements von Spackman, M. A., Byrom, P. G.

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Basis set choice and basis set superposition error (BSSE) in periodic Hartree-Fock calculations on molecular crystals von SPACKMAN, Mark A, MITCHELL, Anthony S

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Bonded and promolecule radii for molecules and crystals von Gibbs, G. V, Spackman, M. A, Boisen, Jr

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Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Interactions von Gibbs, Gerald V, Ross, Nancy L, Cox, David F, Rosso, Kevin M, Iversen, Bo B, Spackman, Mark A

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Novel tools for visualizing and exploring intermolecular interactions in molecular crystals von MCKINNON, Joshua J, SPACKMAN, Mark A, MITCHELL, Anthony S

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Fingerprinting intermolecular interactions in molecular crystals von Spackman, Mark A., McKinnon, Joshua J.

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The electron distribution in diamond: a comparison between experiment and theory von Spackman, M. A.

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