List of works - Rudolf Zahradník

Intermolecular interactions between medium-sized systems. Nonempirical and empirical calculations of interaction energies. Successes and failures

The World of Non-Covalent Interactions: 2006

Thermal NH Bond Activation on Anionic and Cationic Platinum Clusters: Non-Predetermined Reaction Pathways Indicate Transitions to a Bulk Surface Reactivity

article

Formation of hydrogen-bonded van der waals molecules: applicability of 3–21G intermolecular interaction energies

The Search for Highly Colored Organic Compounds

An essay on the theory and calculations of intermolecular interactions

Study of the relationship between the magnitude of biological activity and the structure of aliphatic compounds

scientific article published on 01 November 1960

Isomorphous Substitution of Si for Al, Ga, Fe, In and B in Molecular Sieves of MFI Structure. A Quantum Chemical, Ammonia Desorption and Catalytic Activity Study of Framework Si-OH-M Acid Site Strength

Dimers of rare gas atoms: CCSD(T), CCSDT and FCI calculations on the (He)2 dimer, CCSD(T) and CCSDT calculations on the (Ne)2 dimer, and CCSD(T) all-electron and pseudopotential calculations on the dimers from (Ne)2 through (Xe)2

Infrared spectrum of o-benzyne: experiment and theory

scientific article published in 1992

Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: a theoretical study of unusual H-bond-assisted catalysis.

scientific article

The entropy driven hydrophobic effect as a function of solute—solvent interactions. A molecular dynamics study

article

Weak intermolecular interactions: Statics and dynamics

article

Origin of high efficiency and specificity of biochemical reactions

Molecular-orbital study of hydroxylation of collagenous proline and lysine

Bonding ability of surface sites on silica and their effect on hydrogen bonds. A quantum-chemical and statistical thermodynamic treatment

article published in 1981

Gas-phase reactivities of charged platinum dimers with ammonia: A combined experimental/theoretical study

A study of the chemical shrinkage and relaxation of collagen fibers

scientific article published on 01 May 1960

Clusters of hydrogen molecules: Ab initio SCF calculations corrected semiempirically for correlation energies

[A possibility for the rejuvenation of collagen fiber structures]

scientific article published on 01 May 1960

Nitrosoamines of secondary amines. II. Polarographic method for the determination of proline and hydroxyproline in protein hydrolysates

scientific article published on 01 January 1957

Is the water-induced potential of mean torsion of n-butane transferable to longer n-alkanes?

World of van der Waals Species

An Attempt at Calculating the Taft's Constants σ*

scientific article published in Nature

Quantum chemical investigation of interaction sites in zeolites and silica

Slabé mezimolekulové interakce v chemii a biologii. Aplikace II

book edition published in 1980

Tribute to Pavel Hobza

scientific article published on October 20, 2011

Stability of Charge-Transfer Complexes of CS2with PH3and its derivatives:Ab initioMRSDCI/CASSCF Study

Ab initio calculations on theo-benzyne?Ar ando-benzyne?CO complexes

Influence of local electric fields on the properties and reactivity of hydrogen bonds. Complexes between molecular hydrogen fluoride and molecular hydrogen chloride and M (M = Li+, Na+, Mg2+)

Semiempirical estimates of the correlation energy in small clusters of hydrogen atoms

article

Reactions between H+3 and rare gas atoms

Association and dissociation of nonpolar and polar van der Waals pairs in water. Manifestation of the hydrophobic and hydrophilic effect

On the problem of the connection between the electronic structure of polynuclear aromatic hydrocarbons and their carcinogenic effect

scientific article

O umění s rozumem

book edition published in 2015

List of works by Rudolf Zahradník

Intermolecular interactions between medium-sized systems. Nonempirical and empirical calculations of interaction energies. Successes and failures

The World of Non-Covalent Interactions: 2006

Thermal NH Bond Activation on Anionic and Cationic Platinum Clusters: Non-Predetermined Reaction Pathways Indicate Transitions to a Bulk Surface Reactivity

Formation of hydrogen-bonded van der waals molecules: applicability of 3–21G intermolecular interaction energies

The Search for Highly Colored Organic Compounds

An essay on the theory and calculations of intermolecular interactions

Study of the relationship between the magnitude of biological activity and the structure of aliphatic compounds

Isomorphous Substitution of Si for Al, Ga, Fe, In and B in Molecular Sieves of MFI Structure. A Quantum Chemical, Ammonia Desorption and Catalytic Activity Study of Framework Si-OH-M Acid Site Strength

Dimers of rare gas atoms: CCSD(T), CCSDT and FCI calculations on the (He)2 dimer, CCSD(T) and CCSDT calculations on the (Ne)2 dimer, and CCSD(T) all-electron and pseudopotential calculations on the dimers from (Ne)2 through (Xe)2

Infrared spectrum of o-benzyne: experiment and theory

Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: a theoretical study of unusual H-bond-assisted catalysis.

The entropy driven hydrophobic effect as a function of solute—solvent interactions. A molecular dynamics study

Weak intermolecular interactions: Statics and dynamics

Origin of high efficiency and specificity of biochemical reactions

Molecular-orbital study of hydroxylation of collagenous proline and lysine

Bonding ability of surface sites on silica and their effect on hydrogen bonds. A quantum-chemical and statistical thermodynamic treatment

Gas-phase reactivities of charged platinum dimers with ammonia: A combined experimental/theoretical study

A study of the chemical shrinkage and relaxation of collagen fibers

Clusters of hydrogen molecules: Ab initio SCF calculations corrected semiempirically for correlation energies

[A possibility for the rejuvenation of collagen fiber structures]

Nitrosoamines of secondary amines. II. Polarographic method for the determination of proline and hydroxyproline in protein hydrolysates

Is the water-induced potential of mean torsion of n-butane transferable to longer n-alkanes?

World of van der Waals Species

An Attempt at Calculating the Taft's Constants σ*

Quantum chemical investigation of interaction sites in zeolites and silica

Slabé mezimolekulové interakce v chemii a biologii. Aplikace II

Tribute to Pavel Hobza

Stability of Charge-Transfer Complexes of CS2with PH3and its derivatives:Ab initioMRSDCI/CASSCF Study

Ab initio calculations on theo-benzyne?Ar ando-benzyne?CO complexes

Influence of local electric fields on the properties and reactivity of hydrogen bonds. Complexes between molecular hydrogen fluoride and molecular hydrogen chloride and M (M = Li+, Na+, Mg2+)

Semiempirical estimates of the correlation energy in small clusters of hydrogen atoms

Reactions between H+3 and rare gas atoms

Association and dissociation of nonpolar and polar van der Waals pairs in water. Manifestation of the hydrophobic and hydrophilic effect

On the problem of the connection between the electronic structure of polynuclear aromatic hydrocarbons and their carcinogenic effect

O umění s rozumem

Discriminative interactions between chiral molecules: internal discrimination in 1,2-difluorohydrazine