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Publications

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Filters: Author is K. Ruedenberg  [Clear All Filters]
2018
J. J. Duchima Heredia, Ruedenberg, K., and Gordon, M. S., Quasi-Atomic Bonding Analysis of Xe-Containing Compounds, Journal of Physical Chemistry A, vol. 122, pp. 3442-3454, 2018.
G. B. Bacskay, Nordholm, S., and Ruedenberg, K., The Virial Theorem and Covalent Bonding, Journal of Physical Chemistry A, vol. 122, pp. 7880-7893, 2018.
2015
A. C. West, Schmidt, M., Gordon, M. S., and Ruedenberg, K., A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane, Journal of Physical Chemistry A, vol. 119, pp. 10376-10389, 2015.
A. C. West, Schmidt, M., Gordon, M. S., and Ruedenberg, K., A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of Urea, Journal of Physical Chemistry A, vol. 119, pp. 10368-10375, 2015.
A. C. West, Schmidt, M., Gordon, M. S., and Ruedenberg, K., A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave Functions, Journal of Physical Chemistry A, vol. 119, pp. 10360-10367, 2015.
L. Bytautas, Scuseria, G. E., and Ruedenberg, K., Seniority number description of potential energy surfaces: Symmetric dissociation of water, N2, C2, and Be2, The Journal of Chemical Physics, vol. 143, p. 094105, 2015.
P. L. Ayers, Boyd, R. J., Bultinck, P., Caffarel, M., Carbo-Dorca, R., Causa, M., Cioslowski, J., Contreras-Garcia, J., Cooper, D. L., Coppens, P., Gatti, C., Grabowsky, S., Lazzeretti, P., Macchi, P., Pendas, A. M., Popelier, P. L. A., Ruedenberg, K., Rzepa, H., Savin, A., Sax, A., Schwarz, W. H. E., Shahbazian, S., Silvi, B., Sola, M., and Tsirelson, V., Six questions on topology in theoretical chemistry, Computational and Theoretical Chemistry, vol. 1053, pp. 2-16, 2015.
2014
M. Schmidt, Ivanic, J., and Ruedenberg, K., Covalent bonds are created by the drive of electron waves to lower their kinetic energy through expansion, Journal of Chemical Physics, vol. 140, p. 204104, 2014.
W. H. E. Schwarz, Grein, F., and Ruedenberg, K., In memoriam Hermann Hartmann, founder of TCA, on the occasion of his 100th birthday, Theoretical Chemistry Accounts, vol. 133, p. 1508, 2014.
M. Schmidt, Ivanic, J., and Ruedenberg, K., The Physical Origin of Covalent Bonding, in Chemical Bond: Fundamental Aspects of Chemical Bonding, G. Frenking and Shaik, S. Weinheim: Wiley-V C H Verlag Gmbh, 2014, pp. 1-67.