• 6906 Citations
  • 38 h-Index
1970 …2019

Research output per year

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Research Output

Article

A BSSE‐free SCF algorithm for intermolecular interactions

Mayer, I. & Vibók, A., 1991, In : International Journal of Quantum Chemistry. 40, 1, p. 139-148 10 p.

Research output: Contribution to journalArticle

50 Citations (Scopus)
16 Citations (Scopus)

A chemical energy component analysis

Mayer, I., Dec 22 2000, In : Chemical Physics Letters. 332, 3-4, p. 381-388 8 p.

Research output: Contribution to journalArticle

61 Citations (Scopus)

A comparison of a priori and a posteriori BSSE correction schemes for rare gas-proton potential curves

Mayer, I. & Vibók, A., Oct 1 1991, In : Acta Physica Hungarica. 70, 4, p. 403-413 11 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

A comparison of different DODS methods when the number of electrons increases

Mayer, I. & Kertész, M., 1976, In : International Journal of Quantum Chemistry. 10, 6, p. 961-966 6 p.

Research output: Contribution to journalArticle

20 Citations (Scopus)

A full-CI investigation into the BSSE problem

Mayer, I., Vibók, Á. & Valiron, P., Jul 8 1994, In : Chemical Physics Letters. 224, 1-2, p. 166-174 9 p.

Research output: Contribution to journalArticle

38 Citations (Scopus)

A general efficient implementation of the BSSE-free SCF and MP2 methods based on the chemical hamiltonian approach

Salvador, P., Asturiol, D. & Mayer, I., Oct 1 2006, In : Journal of Computational Chemistry. 27, 13, p. 1505-1516 12 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

ALGORITHMS FOR EVALUATING THE LAGUERRE AND X EXPANSION COEFFICIENTS OF TRANSFER FUNCTIONS.

Bars, R. & Mayer, I., Jan 1 1977, In : Probl Control Inf Theory. 6, 3, p. 249-260 12 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Analytical derivation of the Hückel "4n + 2 rule"

Mayer, I., Mar 1 2010, In : Theoretical Chemistry Accounts. 125, 3-6, p. 203-206 4 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

An analytical investigation into the bsse problem

Mayer, I. & Turi, L., Mar 29 1991, In : Journal of Molecular Structure: THEOCHEM. 227, C, p. 43-65 23 p.

Research output: Contribution to journalArticle

37 Citations (Scopus)

An exact chemical decomposition scheme for the molecular energy

Mayer, I., Dec 5 2003, In : Chemical Physics Letters. 382, 3-4, p. 265-269 5 p.

Research output: Contribution to journalArticle

54 Citations (Scopus)

An extension of the virial theorem for general wave functions

Tasi, G. & Mayer, I., Nov 26 2007, In : Chemical Physics Letters. 449, 1-3, p. 221-226 6 p.

Research output: Contribution to journalArticle

Angular dependence of superexchange interactions in σ-bonded transition metal clusters

Atanasov, M. A., Angelov, S. & Mayer, I., Nov 1985, In : Solid State Communications. 56, 8, p. 743-745 3 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Are there atomic orbitals in a molecule?

Mayer, I., Bakó, I. & Stirling, A., Nov 17 2011, In : Journal of Physical Chemistry A. 115, 45, p. 12733-12737 5 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)
29 Citations (Scopus)

Atomic orbitals from molecular wave functions: the effective minimal basis

Mayer, I., Jan 1 1996, In : Journal of physical chemistry. 100, 15, p. 6249-6257 9 p.

Research output: Contribution to journalArticle

38 Citations (Scopus)
5 Citations (Scopus)

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

Mayer, I., 1984, In : International Journal of Quantum Chemistry. 26, 1, p. 151-154 4 p.

Research output: Contribution to journalArticle

293 Citations (Scopus)

Bond order and valence indices: A personal account

Mayer, I., Jan 15 2007, In : Journal of Computational Chemistry. 28, 1, p. 204-221 18 p.

Research output: Contribution to journalArticle

240 Citations (Scopus)

Bond orders and energy components in polymers

Mayer, I., Knapp-Mohammady, M. & Suhai, S., May 1 2004, In : Chemical Physics Letters. 389, 1-3, p. 34-38 5 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

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

Mayer, I., Jan 1987, In : Journal of Molecular Structure: THEOCHEM. 149, 1-2, p. 81-89 9 p.

Research output: Contribution to journalArticle

100 Citations (Scopus)

Bond orders and valences from ab initio wave functions

Mayer, I., 1986, In : International Journal of Quantum Chemistry. 29, 3, p. 477-483 7 p.

Research output: Contribution to journalArticle

384 Citations (Scopus)

Bond orders and valences in some simple sulphur compounds

Mayer, I. & Révész, M., 1983, In : Inorganica Chimica Acta. 77, C, p. L205-L206

Research output: Contribution to journalArticle

30 Citations (Scopus)

Bond orders and valences in the SCF theory: a comment

Mayer, I., May 1 1985, In : Theoretica chimica acta. 67, 4, p. 315-322 8 p.

Research output: Contribution to journalArticle

177 Citations (Scopus)
48 Citations (Scopus)

BSSE-free SCF algorithm for treating several weakly interacting systems

Halâsz, G., Vibök, L., Valiron, P. & Mayer, I., Jan 1 1996, In : Journal of physical chemistry. 100, 15, p. 6332-6335 4 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)

BSSE-free SCF theories: A comment

Hamza, A., Vibók, Á., Halász, G. J. & Mayer, I., Apr 28 2000, In : Journal of Molecular Structure: THEOCHEM. 501-502, p. 427-434 8 p.

Research output: Contribution to journalArticle

32 Citations (Scopus)

BSSE-free second-order intermolecular perturbation theory

Mayer, I. & Mayer, I., Oct 1 1997, In : Molecular Physics. 92, 3, p. 503-510 8 p.

Research output: Contribution to journalArticle

24 Citations (Scopus)
15 Citations (Scopus)

Calculation of local spins for correlated wave functions

Mayer, I. & Matito, E., Jan 1 2010, In : Physical Chemistry Chemical Physics. 12, 37, p. 11308-11314 7 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)

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

Mayer, I., May 20 1983, In : Chemical Physics Letters. 97, 3, p. 270-274 5 p.

Research output: Contribution to journalArticle

1402 Citations (Scopus)

Comments on the EPR spectra of irradiated solid glycine

Mayer, I., Jan 1971, In : Chemical Physics Letters. 8, 1, p. 117-119 3 p.

Research output: Contribution to journalArticle

Comments on the quantum theory of valence and bonding: Choosing between alternative definitions

Mayer, I., Oct 5 1984, In : Chemical Physics Letters. 110, 4, p. 440-444 5 p.

Research output: Contribution to journalArticle

64 Citations (Scopus)

Comparative studies on model potential curves

Mayer, I., Jun 1 1975, In : Acta Physica Academiae Scientiarum Hungaricae. 39, 2, p. 133-141 9 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Comparison of a posteriori and a priori BSSE correction schemes for SCF intermolecular energies

Valiron, P., Vibók, Á. & Mayer, I., Apr 1993, In : Journal of Computational Chemistry. 14, 4, p. 401-409 9 p.

Research output: Contribution to journalArticle

46 Citations (Scopus)
9 Citations (Scopus)
10 Citations (Scopus)

Coupled perturbed Hartree-Fock equations. An alternative derivation and generalization to non-orthogonal orbitals

Paizs, B. & Mayer, I., Mar 25 1994, In : Chemical Physics Letters. 220, 1-2, p. 97-101 5 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Covalent bonding: The role of exchange effects

Mayer, I., Apr 3 2014, In : Journal of Physical Chemistry A. 118, 13, p. 2543-2546 4 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Covalent bond orders and atomic valence indices in the topological theory of atoms in molecules

Ángyán, J. G., Loos, M. & Mayer, I., Jan 1 1994, In : Journal of physical chemistry. 98, 20, p. 5244-5248 5 p.

Research output: Contribution to journalArticle

261 Citations (Scopus)
23 Citations (Scopus)

Derivation of the extended Hartree-Fock equations

Mayer, I., Nov 1 1971, In : Chemical Physics Letters. 11, 4, p. 397-400 4 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Deriving gradient formulae for SCF methods by using Brillouin-type theorems. Gradient in the HPHF method

Belén Ruiz, M. & Mayer, I., Apr 13 1995, In : Chemical Physics Letters. 236, 3, p. 217-228 12 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Dissecting the hindered rotation of ethane

Asturiol, D., Salvador, P. & Mayer, I., Aug 24 2009, In : ChemPhysChem. 10, 12, p. 1987-1992 6 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Dissociative recombination of antiprotonic atomcules p̄He+ with positronium: Towards antihydrogen synthesis?

Sauge, S., Valiron, P. & Mayer, I., Feb 9 2001, In : Chemical Physics Letters. 334, 4-6, p. 330-336 7 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Effective atomic orbitals for fuzzy atoms

Mayer, I. & Salvador, P., Jun 26 2009, In : Journal of Chemical Physics. 130, 23, 234106.

Research output: Contribution to journalArticle

15 Citations (Scopus)

EHF Description of superexchange: Relations to Anderson's model

Mayer, I. & Angelov, S. A., 1980, In : International Journal of Quantum Chemistry. 18, 3, p. 783-796 14 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
32 Citations (Scopus)

Energy partitioning for "fuzzy" atoms

Salvador, P. & Mayer, I., Mar 15 2004, In : Journal of Chemical Physics. 120, 11, p. 5046-5052 7 p.

Research output: Contribution to journalArticle

65 Citations (Scopus)

Energy partitioning schemes

Mayer, I., Nov 9 2006, In : Physical Chemistry Chemical Physics. 8, 40, p. 4630-4646 17 p.

Research output: Contribution to journalArticle

27 Citations (Scopus)