Items where Author is "Mayer, István"

Article

Bakó, Imre and Csókás, Dániel and Mayer, István and Pothoczki, Szilvia and Pusztai, László (2021) The influence of cations on the dipole moments of neighboring polar molecules. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 121. ISSN 0020-7608

Mayer, István (2019) Kötésrend- és vegyértékindexek. MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-), 125 (3). pp. 116-122. ISSN 1418-9933

Mayer, István and Bakó, Imre (2017) Many-Body Energy Decomposition with Basis Set Superposition Error Corrections. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13 (5). pp. 1883-1886. ISSN 1549-9618

Bakó, Imre and Mayer, István (2016) Hierarchy of the Collective Effects in Water Clusters. JOURNAL OF PHYSICAL CHEMISTRY A, 120 (4). pp. 631-638. ISSN 1089-5639

Bakó, Imre and Mayer, István (2016) On Dipole Moments and Hydrogen Bond Identification in Water Clusters. JOURNAL OF PHYSICAL CHEMISTRY A, 120 (25). pp. 4408-4417. ISSN 1089-5639

Mayer, István (2016) Restoring rotational invariance of Lowdin populations. STRUCTURAL CHEMISTRY, 27 (1). pp. 51-55. ISSN 1040-0400

Mayer, István (2015) Hermitian "chemical" Hamiltonian: an alternative ab initio method. THEORETICAL CHEMISTRY ACCOUNTS, 134 (7). p. 86. ISSN 1432-881X

Mayer, István (2014) Covalent Bonding: The Role of Exchange Effects. JOURNAL OF PHYSICAL CHEMISTRY A, 118 (13). pp. 2543-2546. ISSN 1089-5639

Mayer, István (2014) Effective Atomic Orbitals: A Tool for Understanding Electronic Structure of Molecules. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 114 (16). pp. 1041-1047. ISSN 0020-7608

Bakó, Imre and Stirling, András and Mayer, István (2013) Extracting Chemical Information from Plane Wave Calculations by a 3D "Fuzzy Atoms" Analysis. Chemical Physics Letters. ISSN 0009-2614

Mayer, István (2013) Relation between the Hilbert space and "fuzzy atoms" analyses. CHEMICAL PHYSICS LETTERS, 585. pp. 198-200. ISSN 0009-2614

Ramos-Cordoba, E. and Salvador, P. and Mayer, István (2013) The atomic orbitals of the topological atom. JOURNAL OF CHEMICAL PHYSICS, 138 (21). No. 214107. ISSN 0021-9606

Monograph

Mayer, István and Lendvay, György (2013) Lokális tulajdonságok kvantumkémiai analízise és számítása = Quantum chemical analysis and computation of local properties. Project Report. OTKA.

Mayer, István and Hamza, Andrea and Lendvay, György (2008) Energiakomponensek számítása molekulákban és reagáló rendszerekben = Calculation of energy components in molecules and in reacting systems. Project Report. OTKA.