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Chemistry

D-Index
49
Citations
12849
World Ranking
14648
National Ranking
18

Overview

István Mayer is affiliated with the Hungarian Academy of Sciences in Hungary, contributing to research across multiple fields including physics, chemistry, and social sciences. Their work spans atomic and molecular physics, optics, physical and theoretical chemistry, education, fluid flow processes, and political and social sciences.

Their research topics focus on spectroscopy and quantum chemical studies, photochemistry and electron transfer studies, advanced chemical physics studies, quantum and superfluid helium dynamics, thermodynamic properties of mixtures, various chemistry research topics, and education methods and technologies.

Among the recent papers authored by Mayer are:

  • A basis set superposition error-free second-order perturbation theory from Hermitian chemical Hamiltonian approach self-consistent field canonic orbitals, 2021, International Journal of Quantum Chemistry
  • The influence of cations on the dipole moments of neighboring polar molecules, 2021, International Journal of Quantum Chemistry
  • The influence of cations on the dipole moments of neighboring polar molecules, 2021, arXiv (Cornell University)
  • Promoting factors for the design of sustainable teacher training programmes: The perspective of leaders of modular in-service training series at the KPH Vienna/Lower Austria, 2025, Empirische Pädagogik

Mayer frequently publishes in the following venues:

  • International Journal of Quantum Chemistry
  • arXiv (Cornell University)
  • Empirische Pädagogik

Frequent collaborators in Mayer's publications include Imre Bakó, Dániel Csókás, Szilvia Pothoczki, László Pusztai, and Pedro Salvador. These professional relationships reflect interdisciplinary cooperation across the documented research areas.

Best Publications

  • Charge, bond order and valence in the AB initio SCF theory

    I. Mayer

  • Bond order and valence indices: a personal account.

    I. Mayer

  • Bond orders and valences from ab initio wave functions

    I. Mayer

  • Bond order and valence: Relations to Mulliken's population analysis

    I. Mayer

  • On bond orders and valences in the Ab initio quantum chemical theory

    I. Mayer

  • Overlap populations, bond orders and valences for fuzzy atoms

    I Mayer;P Salvador

  • Towards a “Chemical” Hamiltonian

    I. Mayer

  • Hierarchy of counterpoise corrections for N-body clusters: generalization of the Boys-Bernardi scheme

    Pierre Valiron;István Mayer

  • COVALENT BOND ORDERS AND ATOMIC VALENCE INDICES IN THE TOPOLOGICAL THEORY OF ATOMS IN MOLECULES

    Janos G. Angyan;Michel Loos;Istvan Mayer

  • The Spin-Projected Extended Hartree-Fock Method

    István Mayer

  • Bond orders and valences in the SCF theory: a comment

    I. Mayer

  • Investigation of Some Properties of Multicenter Bond Indices

    Robert Ponec;István Mayer

  • SOME DIFFICULTIES IN COMPUTING BSSE-CORRECTED POTENTIAL SURFACES OF CHEMICAL REACTIONS

    G. Lendvay;I. Mayer

  • Bond orders and valences: Role of d-orbitals for hypervalent sulphur

    I. Mayer

  • The effect of protonation site on bond strengths in simple peptides: Application of Ab initio and modified neglect of differential overlap bond orders and modified neglect of differential overlap energy partitioning

    Árpád Somogyi;Vicki H. Wysocki;István Mayer

  • Nine questions on energy decomposition analysis.

    Juan Andrés;Paul W. Ayers;Roberto Álvarez Boto;Ramon Carbó-Dorca

  • Using singular value decomposition for a compact presentation and improved interpretation of the CIS wave functions

    I. Mayer

  • On Löwdin's method of symmetric orthogonalization*

    I. Mayer

  • Monomer geometry relaxation and the basis set superposition error

    I. Mayer;P.R. Surján

  • Mechanistic Details of Nickel(0)-Assisted Oxidative Coupling of CO2 with C2H4

    Imre Pápai;Gábor Schubert;István Mayer;Gábor Besenyei

Frequent Co-Authors

Sándor Suhai
Sándor Suhai German Cancer Research Center
Miklos Kertesz
Miklos Kertesz Georgetown University
Mihail Atanasov
Mihail Atanasov Max Planck Society
János G. Ángyán
János G. Ángyán University of Lorraine
Imre Pápai
Imre Pápai Hungarian Academy of Sciences
Henry Chermette
Henry Chermette Claude Bernard University Lyon 1
Ari P. Seitsonen
Ari P. Seitsonen PSL University
Frank Weinhold
Frank Weinhold University of Wisconsin–Madison
Krzysztof Szalewicz
Krzysztof Szalewicz University of Delaware
Gernot Frenking
Gernot Frenking Philipp University of Marburg

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