A scaled explicitly correlated F12 correction to second-order Møller–Plesset perturbation theory
Urban, L., Thompson, T. H., Ochsenfeld, C.
Published in The Journal of chemical physics (28.01.2021)
Published in The Journal of chemical physics (28.01.2021)
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Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementation
Ambroise, M A, Sacchetta, F, Graf, D, Ochsenfeld, C, Dreuw, A
Published in The Journal of chemical physics (28.03.2023)
Published in The Journal of chemical physics (28.03.2023)
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Journal Article
[P3Se4]+: A Binary Phosphorus Selenium Cation
Feldmann, K.-O., Wiegand, T., Ren, J., Eckert, H., Breternitz, J., Groh, M. F., Müller, U., Ruck, M., Maryasin, B., Ochsenfeld, C., Schön, O., Karaghiosoff, K., Weigand, J. J.
Published in Chemistry : a European journal (26.06.2015)
Published in Chemistry : a European journal (26.06.2015)
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Structure Assignment in the Solid State by the Coupling of Quantum Chemical Calculations with NMR Experiments: A Columnar Hexabenzocoronene Derivative
Ochsenfeld, Christian, Brown, Steven P, Schnell, Ingo, Gauss, Jürgen, Spiess, Hans Wolfgang
Published in Journal of the American Chemical Society (21.03.2001)
Published in Journal of the American Chemical Society (21.03.2001)
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Locality and Sparsity of Ab Initio One-Particle Density Matrices and Localized Orbitals
Maslen, P. E, Ochsenfeld, C, White, C. A, Lee, M. S, Head-Gordon, M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.03.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.03.1998)
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Journal Article
Combined crossed molecular beams and ab initio investigation of the formation of carbon-bearing molecules in the interstellar medium via neutral–neutral reactions
Kaiser, R. I., Ochsenfeld, C., Stranges, D., Head-Gordon, M., Lee, ¶ Y. T.
Published in Faraday discussions (1998)
Published in Faraday discussions (1998)
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Molecular tweezer and clip in aqueous solution: Unexpected self-assembly, powerful host-guest complex formation, quantum chemical H-1 NMR shift calculation
Klarner, FG, Kahlert, B, Nellesen, A, Zienau, J, Ochsenfeld, C, Schrader, T
Published in Journal of the American Chemical Society (12.04.2006)
Published in Journal of the American Chemical Society (12.04.2006)
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Rigorous integral screening for electron correlation methods
Lambrecht, Daniel S, Doser, Bernd, Ochsenfeld, Christian
Published in The Journal of chemical physics (08.11.2005)
Published in The Journal of chemical physics (08.11.2005)
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[P sub(3)Se sub(4)] super(+): A Binary Phosphorus Selenium Cation
Feldmann, K-O, Wiegand, T, Ren, J, Eckert, H, Breternitz, J, Groh, M F, Mueller, U, Ruck, M, Maryasin, B, Ochsenfeld, C, Schon, O, Karaghiosoff, K, Weigand, J J
Published in Chemistry : a European journal (01.06.2015)
Published in Chemistry : a European journal (01.06.2015)
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Journal Article
Q-Chem 2.0: a high-performance ab initio electronic structure program package
Kong, Jing, White, Christopher A., Krylov, Anna I., Sherrill, David, Adamson, Ross D., Furlani, Thomas R., Lee, Michael S., Lee, Aaron M., Gwaltney, Steven R., Adams, Terry R., Ochsenfeld, Christian, Gilbert, Andrew T. B., Kedziora, Gary S., Rassolov, Vitaly A., Maurice, David R., Nair, Nikhil, Shao, Yihan, Besley, Nicholas A., Maslen, Paul E., Dombroski, Jeremy P., Daschel, Holger, Zhang, Weimin, Korambath, Prakashan P., Baker, Jon, Byrd, Edward F. C., Van Voorhis, Troy, Oumi, Manabu, Hirata, So, Hsu, Chao-Ping, Ishikawa, Naoto, Florian, Jan, Warshel, Arieh, Johnson, Benny G., Gill, Peter M. W., Head-Gordon, Martin, Pople, John A.
Published in Journal of computational chemistry (01.12.2000)
Published in Journal of computational chemistry (01.12.2000)
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