C. Kozmutza

发表

A model approach for food safety: The assessment of interactions by computing

C. Kozmutza, I. Varga, I. Budaházy, 2006 .

The spatial distribution of localized molecular orbital densities

C. Kozmutza, E. Kapuy, M. E. Stephens, 1977 .

Limits on the localized interpretation of molecular orbital wavefunctions

R. Daudel, C. Kozmutza, E. Kapuy, 1976 .

Ab initio program for treatment of related molecules. II. Integral transformation in extended systems

C. Kozmutza, 1987 .

Theory of lone pairs. IV. Molecular ion hole states of ten‐electron hydrides. Molecular ionization potentials and proton affinities by direct SCF calculations

M. Robb, I. Csizmadia, R. Daudel, 1982 .

Calculations for the CH4 molecular in the framework of the localized many-body perturbation theory

C. Kozmutza, E. Kapuy, 1993 .

Applications of the many-body perturbation theory in the localized representation: structural effects in the correlation energy of normal saturated hyd

F. Bartha, C. Kozmutza, F. Bogár, 1991 .

Applications of the MBPT in the localized representation

F. Bartha, C. Kozmutza, F. Bogár, 1990 .

Theoretical study of some lower-lying water hexamer clusters

E. Kryachko, E. Tfirst, C. Kozmutza, 2000 .

Geometry dependence of the proton affinities in the electronic ground, excited triplet and ionized doublet states of H2CO and H2COH+

M. Robb, I. Csizmadia, O. Strausz, 1982 .

Vertical proton affinities of CH2O and CH2OH+ in their ground singlet, excited triplet and ionized doublet states

M. Robb, I. Csizmadia, G. Theodorakopoulos, 1978 .

Many-body perturbation for an open-shell cluster

E. Tfirst, C. Kozmutza, E. Kapuy, 1993 .

The application of localized representation in the calculation of interaction energy

C. Kozmutza, E. Kapuy, Emile Kassab, 1995 .

Localized orbitals for the description of molecular interaction

C. Kozmutza, E. Kapuy, 1990 .

Theoretical investigation of weakly interacting molecular systems using the virial theorem

E. Tfirst, C. Kozmutza, 2005 .

On the use of spatial symmetry in ab initio calculations. Transformation of the two-electron integrals from atomic orbital to localized molecular orbital basis

C. Kozmutza, E. Kapuy, 1993 .

AB initio method for treatment of spatially extended systems I vanishing atomic two-electron integrals

C. Kozmutza, E. Kapuy, Zs. Ozoróczy, 1989 .

To address accuracy and precision using methods from analytical chemistry and computational physics

Y. Picó, C. Kozmutza, 2009, Environmental monitoring and assessment.

The structure of the CH2O-NH3 system

C. Kozmutza, E. Kapuy, Zs. Ozoróczy, 1990 .

The structure of the CH2O-NH3 system: Part I. Study of configurations

C. Kozmutza, E. Kapuy, Zs. Ozoróczy, 1990 .

AB initio method for treatment of spatially extended systems III vanishing integrals of the C9H20 system

C. Kozmutza, E. Kapuy, Zs. Ozoróczy, 1989 .

An efficient method for using molecular symmetry: the presence of model geometries

F. Bartha, C. Kozmutza, E. Kapuy, 1985 .

Evaluation of pesticide residue in grape juices and the effect of natural antioxidants on their degradation rate

Y. Picó, C. Kozmutza, 2007, Analytical and bioanalytical chemistry.

DECOMPOSITION OF THE TOTAL ENERGY AT THE HF-SCF LEVEL AND AT SEVERAL LEVELS OF CORRELATION. I. A STUDY OF THE INTERACTION IN CLUSTERS OF HE, NE AND AR ATOMS

E. Tfirst, C. Kozmutza, E. Kapuy, 1996 .

Interaction energy of formaldehyde with ammonia

C. Kozmutza, E. Kapuy, E. Evleth, 1991 .

Dependence on the geometry and on the basis set of localized orbital energy and moment contributions

J. Pipek, C. Kozmutza, E. Kapuy, 1979 .

Basis set dependence of localized orbitals

R. Daudel, C. Kozmutza, E. Kapuy, 1978 .

Theory of lone pairs. II. A moment analysis of localized molecular orbitals in ten-electron hydrides

I. Csizmadia, R. Daudel, C. Kozmutza, 1977 .

Theory of lone pairs. A relationship between orbital energy contributions and the second moments of localized orbitals in ten-electron hydrides

I. Csizmadia, C. Kozmutza, E. Kapuy, 1976 .

Characterization of charge distribution in terms of localized orbitals

C. Kozmutza, E. Kapuy, Zs. Ozoróczy, 1976 .

Moment characterization of localized orbitals

C. Kozmutza, E. Kapuy, M. E. Stephens, 1976 .

Theoretical investigation of the interaction energy in the Li++H2O ionic complex

C. Kozmutza, E. Kapuy, Zs. Ozoróczy, 1991 .

Application of the many-body perturbation theory to normal saturated hydrocarbons in the localized representation

F. Bartha, C. Kozmutza, F. Bogár, 1987 .

Study of the effect of metal ions on hydroxyl-containing molecules

I. Varga, L. Udvardi, F. Bartha, 2007 .

Ab initio program for treatment of related systems. Transferable quantities of localized molecular orbitals

I. Csizmadia, E. Tfirst, C. Kozmutza, 2001 .

Analysis of weakly bound structures: Hydrogen bond and the electron density in a water dimer

O. Kapuy, C. Alsenoy, F. Bartha, 2003 .

A study of weakly interacting systems in localized representation, including the many-body effect

E. Tfirst, C. Kozmutza, 1998 .

Correlation energies in the interaction energy of molecules. The water dimer

C. Kozmutza, E. Kapuy, 1994 .

Calculation of the dispersion interaction energy by using localized molecular orbitals

C. Kozmutza, E. Kapuy, 1991 .

Application of the many‐body perturbation theory by using localized orbitals

C. Kozmutza, E. Kapuy, Z. Csépes, 1983 .

An ab initio program for the treatment of related systems transferability of correlation energy terms of weakly interacting molecules

E. Tfirst, C. Kozmutza, 2004 .

Comparison of the extent of hydrogen bonding in H2O–H2O and H2O–CH4 systems

I. Varga, L. Udvardi, C. Kozmutza, 2003 .

A decomposition of the total energy at the HF–SCF level and at several levels of correlation: IV. A study of the interaction in H2O–AlH2OH+NH3 at the correlated level

E. Tfirst, L. Udvardi, C. Kozmutza, 1998 .

A decomposition of the total energy at the HF-SCF and at several levels of correlation II. A study of the interaction of (H2O)2 and (HF)2 systems

L. Óvári, C. Kozmutza, E. Kapuy, 1998 .

Application of the localized representation for studying interaction energies

J. Pipek, C. Kozmutza, E. Kapuy, 1996 .

Calculation of the interaction energy in a localized representation for a trimer (Ne3) system

C. Kozmutza, E. Kapuy, E. M. Evleth, 1993, J. Comput. Chem..

Counterpoise corrected calculations at the correlated level: A simplified method using LMOs

C. Kozmutza, E. Kapuy, 1991 .

Decomposition of the interaction correlation energy in terms of localized orbital contributions

E. Tfirst, C. Kozmutza, E. Kapuy, 1994 .

STUDY OF INTERACTION ABILITIES USING AN ENERGY PARTITIONING SCHEME IN SOME WATER CLUSTERS

O. Kapuy, E. Tfirst, F. Bartha, 2006 .

Investigation of the correlation energy component of the intermolecular interaction energy

E. Tfirst, C. Kozmutza, F. Bogár, 1993 .

Calculation of the interaction energy in a localized representation for several diatomic systems

E. Tfirst, C. Kozmutza, E. Kapuy, 1993 .

The use of MIDI basis set at the correlated level

E. Tfirst, C. Kozmutza, E. Kapuy, 1991 .

The study of normal saturated hydrocarbons in the localized representation of the MBPT

F. Bartha, C. Kozmutza, F. Bogár, 1988 .

Study of the transferability of some molecular properties

R. Daudel, C. Kozmutza, E. Kapuy, 1988 .

Ab initio program for treatment of related molecules. I. Integral part

C. Kozmutza, 1981 .

Solvent-assisted interaction between molecules: calculations at the Hartree-Fock + correlation level Part 1. The study of the BH3 + H2O and NH3 + NH3 systems

C. Kozmutza, E. Kapuy, 1993 .

Applications of the MBPT in the localized representation the behaviour of the localization terms

F. Bartha, C. Kozmutza, F. Bogár, 1988 .

Many-body perturbation theory for spatially extended systems

C. Kozmutza, F. Bogár, E. Kapuy, 1993 .

An Efficient Method for using Molecular Symmetry. In Advance Selection of Zero Integrals

C. Kozmutza, Zs. Ozoróczy, 1986 .

An efficient method for using molecular symmetry: Theory

C. Kozmutza, 1985 .

Molecular symmetry in ab initio calculations. III

F. Bartha, C. Kozmutza, E. Kapuy, 1986 .

Transferability of some properties of localized molecular orbitals

R. Daudel, C. Kozmutza, E. Kapuy, 1979 .

To address accuracy and precision using methods from analytical chemistry and computational physics

Y. Picó, C. Kozmutza, 2009, Environmental monitoring and assessment.

Study of localizability for some small molecules

R. Daudel, C. Kozmutza, E. Kapuy, 1980 .

Dependence on the geometry and on the basis set of localized orbital energy and moment contributions

C. Kozmutza, E. Kapuy, Zs. Ozoróczy, 1980 .

Dependence on the geometry and on the basis set of localized orbital energy and moment contributions

C. Kozmutza, E. Kapuy, Zs. Ozoróczy, 1979 .