Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory von Mayer, István, Pápai, Imre, Bakó, Imre, Nagy, Ágnes

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Two- and three-body, and relaxation energy terms in water clusters: Application of the hierarchical BSSE corrected decomposition scheme von Bakó, Imre, Mayer, István, Hamza, Andrea, Pusztai, László

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Local spins: improved Hilbert-space analysis von RAMOS-CORDOBA, Eloy, MATITO, Eduard, SALVADOR, Pedro, MAYER, Istvan

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A basis set superposition error‐free second‐order perturbation theory from Hermitian chemical Hamiltonian approach self‐consistent field canonic orbitals von Salvador, Pedro, Mayer, István

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Hierarchy of the Collective Effects in Water Clusters von Bakó, Imre, Mayer, István

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Nine questions on energy decomposition analysis von Andrés, Juan, Ayers, Paul W., Boto, Roberto A., Carbó‐Dorca, Ramon, Chermette, Henry, Cioslowski, Jerzy, Contreras‐García, Julia, Cooper, David L., Frenking, Gernot, Gatti, Carlo, Heidar‐Zadeh, Farnaz, Joubert, Laurent, Martín Pendás, Ángel, Matito, Eduard, Mayer, István, Misquitta, Alston J., Mo, Yirong, Pilmé, Julien, Popelier, Paul L. A., Rahm, Martin, Ramos‐Cordoba, Eloy, Salvador, Pedro, Schwarz, W. H. Eugen, Shahbazian, Shant, Silvi, Bernard, Solà, Miquel, Szalewicz, Krzysztof, Tognetti, Vincent, Weinhold, Frank, Zins, Émilie‐Laure

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On Dipole Moments and Hydrogen Bond Identification in Water Clusters von BAKÓ, Imre, MAYER, István

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Effective atomic orbitals: A tool for understanding electronic structure of molecules von Mayer, István

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Many-Body Energy Decomposition with Basis Set Superposition Error Corrections von Mayer, István, Bakó, Imre

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Toward a Unique Definition of the Local Spin von Ramos-Cordoba, Eloy, Matito, Eduard, Mayer, István, Salvador, Pedro

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The influence of cations on the dipole moments of neighboring polar molecules von Bakó, Imre, Csókás, Dániel, Mayer, István, Pothoczki, Szilvia, Pusztai, László

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The atomic orbitals of the topological atom von Ramos-Cordoba, Eloy, Salvador, Pedro, Mayer, István

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Analytical derivation of the Hückel “4n + 2 rule” von Mayer, István

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Molecular energy decompositions von Mayer, István

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Dissecting the Hindered Rotation of Ethane von Asturiol, David, Salvador, Pedro, Mayer, István

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An extension of the virial theorem for general wave functions von Tasi, Gyula, Mayer, István

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Hierarchy of counterpoise corrections for N-body clusters: generalization of the Boys-Bernardi scheme von Valiron, Pierre, Mayer, István

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Löwdin population analysis with and without rotational invariance von Bruhn, George, Davidson, Ernest R., Mayer, Istvan, Clark, Aurora E.

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Local spin von Mayer, Istvan

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Covalent Bond Orders and Atomic Valence Indices in the Topological Theory of Atoms in Molecules von Angyan, Janos G, Loos, Michel, Mayer, Istvan

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