Hydrogen Spillover to Nonreducible Supports von Prins, R, Palfi, V. K, Reiher, M

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Erratum: “Density matrix renormalization group with efficient dynamical electron correlation through range separation” [J. Chem. Phys. 142, 224108 (2015)] von Hedegård, E. D., Knecht, S., Kielberg, J. S., Jensen, H. J. Aa, Reiher, M.

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Structure and dynamics of the radical cation of ethane arising from the Jahn-Teller and pseudo-Jahn-Teller effects von Jacovella, U, Stein, C. J, Grütter, M, Freitag, L, Lauzin, C, Reiher, M, Merkt, F

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Theoretical study of the Fe(phen)(2)(NCS)(2) spin-crossover complex with reparametrized density functionals von Reiher, Markus

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Condylar bone remodelling in orthognathic surgery: descriptive analysis of the pre- and postsurgical stages von Díaz Reiher, M, Arenas, G, Briones, D, Torrealba, R

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Estimation of the Vibrational Contribution to the Entropy Change Associated with the Low- to High-Spin Transition in Fe(phen)2(NCS)2 Complexes:  Results Obtained by IR and Raman Sp... von Brehm, G, Reiher, M, Schneider, S

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Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary order von Reiher, Markus, Wolf, Alexander

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Exact decoupling of the Dirac Hamiltonian. I. General theory von Reiher, Markus, Wolf, Alexander

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Quantum-information analysis of electronic states of different molecular structures von Barcza, G., Legeza, Ö., Marti, K. H., Reiher, M.

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On the R-dependence of the spin-orbit coupling constant: Potential energy functions of Xe2+ by high-resolution photoelectron spectroscopy and ab initio quantum chemistry von Zehnder, O., Mastalerz, R., Reiher, M., Merkt, F., Dressler, R. A.

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On the R-dependence of the spin-orbit coupling constant: Potential energy functions of Xe(2) (+) by high-resolution photoelectron spectroscopy and ab initio quantum chemistry von Zehnder, O, Mastalerz, R, Reiher, M, Merkt, F, Dressler, R A

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Tetracycline and derivatives: assignment of IR and Raman spectra via DFT calculations von LEYPOLD, C. F, REIHER, M, BREHM, G, SCHMITT, M. O, SCHNEIDER, S, MATOUSEK, P, TOWRIE, M

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The generalized Douglas–Kroll transformation von Wolf, Alexander, Reiher, Markus, Hess, Bernd Artur

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Assertion and validation of the performance of the B3LYP⋆ functional for the first transition metal row and the G2 test set von Salomon, Oliver, Reiher, Markus, Hess, Bernd Artur

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Reparameterization of hybrid functionals based on energy differences of states of different multiplicity von Reiher, Markus, Salomon, Oliver, Artur Hess, Bernd

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Calculation of electric-field gradients based on higher-order generalized Douglas-Kroll transformations von Neese, Frank, Wolf, Alexander, Fleig, Timo, Reiher, Markus, Hess, Bernd Artur

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Binding H2, N2, H−, and BH3 to Transition-Metal Sulfur Sites: Synthesis and Properties of [Ru(L)(PR3)('N2Me2S2')] Complexes (L=η2-H2, H−, BH3; R=Cy, iPr) von Sellmann, D., Hille, A., Heinemann, F. W., Moll, M., Reiher, M., Hess, B. A., Bauer, W.

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Quantum chemical calculation of vibrational spectra of large molecules-Raman and IR spectra for Buckminsterfullerene von Neugebauer, Johannes, Reiher, Markus, Kind, Carsten, Hess, Bernd A.

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The Secret of Dimethyl Sulfoxide−Water Mixtures. A Quantum Chemical Study of 1DMSO−nWater Clusters von Kirchner, Barbara, Reiher, Markus

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Exact decoupling of the Dirac Hamiltonian. III. Molecular properties von Wolf, Alexander, Reiher, Markus

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