Publications by authors named "Istvan Mayer"

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Nine questions on energy decomposition analysis.
Juan Andrés, Paul W Ayers, Roberto A Boto, Ramon Carbó-Dorca, Henry Chermette, István Mayer

J Comput Chem· October 2019

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

J Chem Theory Comput· September 2017

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

J Chem Theory Comput· May 2017

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On Dipole Moments and Hydrogen Bond Identification in Water Clusters.
Imre Bakó, István Mayer

J Phys Chem A· June 2016

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

J Phys Chem A· February 2016

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

J Chem Phys· June 2013

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Local spins: improved Hilbert-space analysis.
Eloy Ramos-Cordoba, Eduard Matito, Pedro Salvador, István Mayer

Phys Chem Chem Phys· November 2012

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

J Chem Theory Comput· April 2012

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Dissecting the hindered rotation of ethane.
David Asturiol, Pedro Salvador, István Mayer

Chemphyschem· August 2009

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