Rudolf Zahradník
#29,161
Most Influential Person Now
Czech chemical engineer and chairman of the Czech Academy of Science
Rudolf Zahradník's AcademicInfluence.com Rankings
Rudolf Zahradníkchemistry Degrees
Chemistry
#273
World Rank
#546
Historical Rank
Chemical Engineering
#424
World Rank
#440
Historical Rank
Download Badge
Chemistry
Rudolf Zahradník's Degrees
- PhD Chemistry Charles University
Why Is Rudolf Zahradník Influential?
(Suggest an Edit or Addition)According to Wikipedia, Rudolf Zahradník was a Czech chemist in the field of quantum chemistry and molecular spectroscopy. He held research positions at the Institute of Occupational Medicine and went on to serve as the first director of the J Heyrovsky Institute of Physical Chemistry, president of the Czech Academy of Sciences and chairman of the Learned Society of the Czech Republic, after the Velvet Revolution. During the 1980s, he taught future German leader Angela Merkel, who was then on an internship in Czechoslovakia. He held a doctorate from the University of Chemistry and Technology, Prague.
Rudolf Zahradník's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Intermolecular interactions between medium-sized systems. Nonempirical and empirical calculations of interaction energies. Successes and failures (1988) (425)
- Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules (1986) (278)
- The World of Non-Covalent Interactions: 2006 (2006) (159)
- Intermolecular Complexes: The Role of Van Der Waals Systems in Physical Chemistry and in the Biodisciplines (1988) (108)
- The Search for Highly Colored Organic Compounds (1989) (107)
- Weak intermolecular interactions in chemistry and biology (1980) (99)
- Infrared spectrum of o-benzyne: experiment and theory (1992) (93)
- Semiempirical calculations on sulfur-containing heterocycles (1968) (80)
- Calculations of absolute values of equilibrium and rate constants. 9. MINDO/2 study of equilibrium carbon vapor (1977) (67)
- Conjugated radicals. I. Introductory remarks and method of calculation (1970) (63)
- Bonding ability of surface sites on silica and their effect on hydrogen bonds. A quantum-chemical and statistical thermodynamic treatment (1981) (57)
- Quantum chemical investigation of interaction sites in zeolites and silica (1980) (56)
- Organic light-sensitive compounds. III. Pyrylium salt sensitizers in light-sensitive polymers (1972) (51)
- Quantum chemical studies on zeolites and silica (1984) (49)
- Calculation of p‐Band Positions of Aromatic Polycyclic Hydrocarbons by Limited Configuration Interaction Method (1962) (43)
- Electronic Structure and Properties of Non‐Alternant Hydrocarbons (1965) (41)
- Electronic Structure of Heterocyclic Sulfur Compounds (1965) (40)
- The superposition error problem: the (HF)2 and (H2O)2 complexes at the SCF and MP2 levels (1986) (39)
- Conjugated radicals. II. Semiempirical calculations of electronic spectra of radical anions derived from alternant hydrocarbons (1970) (39)
- The electronic spectra of acenaphthylene and fluoranthene (1966) (35)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XVII. Electronic spectra of amino and hydroxy derivatives of benzenoid hydrocarbons (1969) (34)
- 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 (1996) (34)
- The dimer (HCl) 2 : Stationary points on the SCF 4-31G energy hypersurface and the role of entropy in the dimer formation (1979) (31)
- Relationship between quantum-chemical indices of reactivity of polycyclic alternant hydrocarbons (1961) (31)
- Elements of quantum chemistry (1980) (30)
- Absorption Spectra of Alkyl isoThiocyanates and N-Alkyl Monothiocarbamates. (1959) (30)
- Conjugated radicals : Theoretical study of redox equilibria (1969) (30)
- Formation of hydrogen-bonded van der waals molecules: applicability of 3–21G intermolecular interaction energies (1981) (29)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives—X (1966) (29)
- A theoretical study of sulphur heterocyclic compounds derived from nonalternant hydrocarbons (1963) (28)
- An HMO study of additional sulphur heterocycles derived from non-alternant hydrocarbons (1965) (27)
- An SCF study of 10‐vertex and 12‐vertex boranes and heteroboranes (1991) (27)
- Tables of quantum chemical data. II. Energy characteristics of some non-alternant hydrocarbons (1964) (27)
- Theoretical Studies of Reaction Mechanisms in Chemistry (1984) (26)
- HMO Energy Characteristics (1970) (26)
- Contribution to the chemistry of thiadiazols and 1,3-thiazol (1961) (25)
- Experimental and theoretical (HMO and LCI-SCF) study of singlet-triplet transitions in conjugated hydrocarbons and their derivatives (1971) (25)
- The parity non-conserving energy difference between enantiomers and a consequence of the CPT theorem for molecule-antimolecule pairs (1989) (24)
- Stacking interactions: Ab initio SCF and MP2 study on (H2O)2, (H2S)2, (HCN)2, (CH2O)2 and (C2H4)2 (1986) (24)
- An experimental and theoretical study of the reactivity and spectral properties of sulphur heterocycles derived from alternant hydrocarbons (1963) (24)
- Semiempirical all-valence-electron MO calculations on the electronic spectra of linear radicals with degenerate ground states (1975) (24)
- An essay on the theory and calculations of intermolecular interactions (1992) (23)
- Automatic Geometry Optimization and Vibrational Analysis in External Electric Field: Ethylene (1978) (23)
- Strained unsaturated molecules. Theoretical study of acyclic and cyclic cumulenes and acetylenes (1994) (23)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. VIII. Quantum chemical reactivity indices of pyridine-like heterocycles (1965) (22)
- Correlation of polarographic half-wave potentials with quantum-chemical characteristics (1965) (22)
- Conjugated radicals. XVIII. Photoelectron spectroscopy as a source of electronic spectral data for radical cations (1973) (22)
- Infrared spectra, kinetics of reduction and polarography of aromatic polynuclear nitro compounds (1961) (22)
- Interactions between Ions and Molecules: Gas-Phase Theoretical Studies (1995) (21)
- Physical properties, reactivity and the MO-LCAO study of thiopyrones and related compounds (1962) (21)
- A remark on the comparison between the roothaan open shell and half-electron method (1972) (21)
- Theoretical study of singlet-triplet and triplet-triplet spectra. I. Selection of parameters and the basis of configuration interaction in closed shell and restricted open shell semiempirical methods (1973) (20)
- Tables of quantum chemical data. V. Molecular orbitals of peri -condensed tricyclic hydrocarbons (1965) (20)
- Van der Waals systems: Molecular orbitals, physical properties, thermodynamics of formation and reactivity (1980) (20)
- Calculation of molecular orbital energies of macromolecules with conjugated double bonds (1960) (20)
- Monocyclic Sulfur-Containing Pyrones (1967) (20)
- Theoretical study of reactivity of methane, methyl fluoride, and methyl chloride : interaction with their radical cations and proton donors (1990) (20)
- Does fluoroformic acid exist (1985) (20)
- A study of the chemical shrinkage and relaxation of collagen fibers. (1960) (19)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. IX. Anodic oxidation of derivatives of benzenoid hydrocarbons (1965) (19)
- A critical reexamination of semiempirical parameters used in π-electronic methods of the PPP-type (1973) (19)
- Conjugated radicals. IX. Experimental study and the LCI- [limited configuration interaction]SCF open shell calculations on the electronic spectra and the redox equilibria of the nitrogen-containing violenes (1971) (19)
- On the stability of XH3YH3 charge-transfer complexes (X = B, Al, Ga, In and Y = N, or P for X = B, Al): an ab initio study (1993) (19)
- Evaluation of the rate constant for the SN2 reaction fluoromethane + hydride .fwdarw. methane + fluoride in the gas phase (1988) (18)
- Open shell cndo treatments on small and aliphatic radicals. Electronic spectra and some ground state properties (1972) (18)
- Quantum chemical study of the mechanism of collagen proline hydroxylation. (1973) (18)
- Conjugated radicals. III. Calculations of electronic spectra of alternant odd radicals of the allyl, benzyl, and phenalenyl types (1970) (17)
- Polyacetylenes and Cumulenes, Potential Elements for Molecular Machines and Precursors of Carbon Clusters: A Theoretical Study (2003) (16)
- Van der Waals molecules: Quantum chemistry, physical properties, and reactivity (1983) (16)
- Open shell CNDO treatments on small inorganic radicals (1973) (16)
- Electronic structure and 11 B-NMR spectra of nine-vertex heteroboranes: 4-CB 8 H 14 , 4-NB 8 H 13 , 4-SB 8 H 12 and 4,6-C 2 B 7 H 13 (1981) (16)
- Gas-phase reactivities of charged platinum dimers with ammonia: A combined experimental/theoretical study (2008) (15)
- Potential energy surface of the (H2)2 dimer: an MP2 study (1988) (15)
- Theoretical study of transitions from the first to higher excited singlet states (1973) (15)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XVI. peri -Condensed tricyclic systems; Effects of molecular geometry and choice of molecular orbitals on characteristics of electronic spectra calculated by the LCI method (1968) (15)
- Many-Body Rayleigh-Schrödinger Perturbation calculations of the correlation energy of open shell molecules in the restricted Roothaan-Hartree-Fock formalism. Application to heats of reaction and energies of activation (1980) (15)
- Electronic spectra of the benzophenone derivatives; Neutral forms (1970) (15)
- Reactions between H+3 and rare gas atoms (1993) (15)
- 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 (1993) (14)
- Conjugated radicals (1971) (14)
- Influence of alcohols and potassium salts of xanthogenic acids on various biological objects. (1962) (14)
- Thermal N-H bond activation on anionic and cationic platinum clusters: non-predetermined reaction pathways indicate transitions to a bulk surface reactivity. (2009) (14)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds—XIV (1968) (14)
- Small Group IIa–VIa Clusters and Related Systems: A Theoretical Study of Physical Properties, Reactivity, and Electronic Spectra (2007) (14)
- Semiempirical MO calculations on the electronic spectra of conjugated hydrocarbon radicals having degenerate ground states (1974) (13)
- Minimal statistical data for structure-function correlations. (1971) (13)
- Ab initio studies of the oxidation of methane with oxo-metal cations (1997) (12)
- Dimerization of small radicals (1974) (12)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. V. Charge transfer spectra of π-complexes of conjugated hydrocarbons (1964) (12)
- Ab initio quantum chemical study of the SN2 reaction, CH3F+H− → CH4+F−, in the gas phase (1988) (12)
- Diatomics AB (A = Be, Mg; B = O, S) and oligomers thereof: A theoretical study (2005) (12)
- Applicability of semiempirical methods in calculations of equilibrium constants of gas-phase chemical reactions (1977) (11)
- Dimerization of homonuclear biatomic molecules (1974) (11)
- Základy kvantové chemie (1976) (11)
- Effect of correlation energy on the stability of classical and nonclassical structures of protonated benzene (1978) (11)
- An HMO study of naphthothiophenes, naphthobenzothiophenes and phenanthrobenzothiophenes (1965) (11)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. III. Study of the heteroanalogues of benzenoid hydrocarbons by the simple MO-LCAO method (1963) (11)
- AB INITIO SELF-CONSISTENT-FIELD STUDY OF FAVORSKII REARRANGEMENT INTERMEDIATES (1981) (11)
- [Nitrosoamines of secondary amines. II. Polarographic method for the determination of proline and hydroxyproline in protein hydrolysates]. (1957) (10)
- A deeper insight into the structure and isomerization reactions of the cyclopropenyl-type systems (1976) (10)
- The entropy driven hydrophobic effect as a function of solute—solvent interactions. A molecular dynamics study (1994) (10)
- Theoretical study of singlet-triplet and triplet-triplet spectra. II. Conjugated hydrocarbons (1973) (10)
- Theoretical studies in the realm of chemical reactivity: Noncatalytic and catalytic reactions (1993) (10)
- Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: a theoretical study of unusual H-bond-assisted catalysis. (2008) (10)
- INDO/S calculations on simple silicon compounds and some silicon organic molecules (1982) (10)
- Kinetics of Formation and Reactions of Quaternary Ethylenimonium Compounds. (1962) (9)
- An hmo correlation of the first bands in the electronic spectra of conjugated hydrocarbon ions (1966) (9)
- 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+) (1983) (9)
- Substituent effect on the lowest singlet and triplet states in the derivatives of 2-hydroxybenzophenone (1970) (9)
- Kinetics of the reaction with OH - ions and polarography of aromatic isothiocyanates (1962) (9)
- Conjugated radicals (1970) (9)
- On the problem of the connection between the electronic structure of polynuclear aromatic hydrocarbons and their carcinogenic effect. (1961) (9)
- CNDO/2 study of the difluoroamino radical dimerization (1976) (9)
- Conjugated radicals. XI. para -Semiquinones (1971) (9)
- Conjugated radicals. VIII. A comparison of the open shell SCF results obtained by the method of Longuet-Higgins and Pople and by the method of Roothaan (1971) (9)
- Clusters of hydrogen molecules: Ab initio SCF calculations corrected semiempirically for correlation energies (1979) (9)
- Weak intermolecular interactions: Statics and dynamics (1986) (9)
- Study of the relations between the physical properties of symmetrical quinones and their structure on the basis of the MO-LCAO method (1962) (8)
- Reactivity and polarography of thiopyrones (1962) (8)
- Electronic structure of established and potential oxidizing agents in biological systems. (1977) (8)
- Conjugated radicals. V. Semiempirical calculations on the electronic spectra of perylene, α,ω-diphenylpolyene and polyphenyl anion radical (1970) (8)
- MO study of the reactivity of cyclopropane, its radical and radical ions, and models of its transition metal complexes (1976) (8)
- Electronic nature of the isothiocyanato group and its effect on the basicity of acridines (1963) (8)
- Electronic Structure of Nonalternant Hydrocarbons, Their Analogs and Derivatives. VII.1 Electronic Spectra of Some Benzologs of the Cyclopentadienylium Cation (1966) (8)
- PROPERTIES AND REACTIVITY IN GROUPS OF THE PERIODIC SYSTEM: ION-MOLECULE REACTIONS HX + HX.+ (X = F, CL, BR, I, AT) (1997) (8)
- Imidazole dyes. XVIII. Electronic spectra and reactivity of imidazole dyes (1966) (8)
- Direct calculation of the energy gradient with cartesian Gaussian basis sets (1976) (8)
- (HX)2 SPECIES (X=F THROUGH AT) IN THE GROUPS OF THE PERIODIC SYSTEM : MP2 AND CCSD(T) AB INITIO QUANTUM CHEMICAL CALCULATIONS (1998) (8)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XI. HMO energy characteristics of fluoranthene-like hydrocarbons (1966) (8)
- Semiempirical calculations of singlet-triplet and triplet-triplet transitions (1969) (8)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. VI. Charge transfer spectra of π-complexes of analogues and derivatives of benzenoid hydrocarbons (1964) (7)
- Physical properties and chemical reactivity of hydrocarbons and related compounds. XIII. An experimental and theoretical study of phenalenyl (1967) (7)
- A New Design Principle for the Photoactive Components (PACs) of Dissolution Inhibition Resists (1998) (7)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. I. A theoretical treatment of Reid's hydrocarbons (1965) (7)
- The CO2⋯HF complex: A theoretical study (4–31G, 6–31G* + dispersion energy) of the stationary points and thermodynamics of formation (1981) (7)
- Nonalternant Hydrocarbons, Radical Ions, and Their Heteroanalogs; Characteristics of Ground and Excited States (1971) (7)
- Radicals: their molecular orbitals, properties, and reactivity (1976) (7)
- SCF-CI MO treatment of radicals having degenerate ground states (1974) (7)
- Ab initio studies on the ground-state potential surface and vibrational spectra of NSF and SNF (1984) (7)
- ELECTRONIC EXCITATION OF ORGANOSULFUR RADICALS (1982) (7)
- The Time-Independent Schrödinger Equation (1980) (7)
- A study of benzodithiylium by a simple MO LCAO method (1960) (7)
- Study of the relationship between the magnitude of biological activity and the structure of aliphatic compounds (1960) (7)
- Conjugated radicals. XVI. Electronic spectra of ortho -semiquinones and remark on the applicability of the LCI-CNDO method to quinones and semiquinones (1973) (7)
- Origin of high efficiency and specificity of biochemical reactions (1984) (7)
- Electronic spectra of azulene mononegative and monopositive ions and semiempirical open shell PPP-like calculations (1973) (6)
- Estimates of quantum chemical molecular characteristics for complete basis sets (2003) (6)
- A quantum chemical study of small beryllium hydrides and their radical anions (1995) (6)
- Properties and reactivity of first and second row hydrides. Introductory remarks, isomerizations, and inversion barriers of the AH 2 , AH 3 , AH 4 and related systems (1990) (6)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XIII. Relative conjugative power of the isomeric fluoranthyls towards the amino group. Basicity (1966) (6)
- Physical-Chemical Properties of N-Substituted Thioureas. (1962) (6)
- On the role of van der Waals interactions in organic chemistry (1988) (6)
- The reactivity and electronic spectra of pseudoaromatic sulphur compounds (1961) (6)
- Correlation of the biological activity of organic compounds by means of the linear free energy relationships (1962) (6)
- Association and dissociation of nonpolar and polar van der Waals pairs in water. Manifestation of the hydrophobic and hydrophilic effect (1994) (6)
- Ab initio calculations of the equilibrium constants of the gas-phase reactions C2H2 + OH− [rlhar2] C2H- + H2O and Li + H2O [rlhar2] LiOH + H (1976) (5)
- Ab initio calculations and absolute rate theory. Critical test for a series of elementary gas‐phase reactions (1979) (5)
- Electronic structure of H 2 B 2 O 3 and H 2 B 2 S 3 , boron-containing systems (1974) (5)
- Electronic spectra of the benzophenone derivatives. Protonated and ionized forms (1970) (5)
- MO approach to electronic spectra of radicals (1973) (5)
- Conjugated radicals. XV. Correlation of p K a values of protonated substituted nitrobenzene radical anions with extended Hückel MO data (1972) (5)
- A test of the applicability of the simple statistical-thermodynamic approach to equilibrium constants of gas-phase reactions (1974) (5)
- 41. The transmission of electronic effects in substituted diphenyl sulphides, diphenyl oxides, and diphenylamines (1963) (5)
- Physical Properties and Chemical Reactivity of Alternant Hydrocarbons and Related Compounds VII. The polarographic reduction of pyridine-like heterocycles†‡§ (2010) (5)
- Proton Delocalization and Hyperacidity in Some Phenolic Resins (2001) (5)
- Semiempirical energy hypersurface of the formaldehyde-water complex and methyl derivatives thereof (1978) (5)
- Theoretical approaches to interactions between biomolecules: Legends and approximations to reality (1989) (5)
- Activated complexes XHH, HXH, HXX, XHX (X F, Cl), twisted C2H4 and CH5. Ab initio SCF 4-31G calculations of force constants of C2H4 and CH5, and CNDO/S calculations of electronic transition energies (1979) (5)
- Quantum chemical and statistical-thermodynamic studies of equilibria and rates (1983) (5)
- Common features of photochemical, radical, and catalyzed reactions (1976) (5)
- Electronic spectrum of the pentathiazyl cation (1973) (5)
- Influence of the structure of aliphatic substituents on the magnitude of the biological effect of substances. (1962) (5)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XIV. Relative conjugative power of the isomeric fluoranthyls towards the amino and nitro groups. Infrared characteristics (1966) (4)
- Conjugated radicals. X. Bisazulenylethylene and related systems (1971) (4)
- CNDO treatments on electronic spectra of small molecules (1973) (4)
- Conjugated radicals. XIV. Electronic spectra and semiempirical calculations on radical anions of acenaphthylene, fluoranthene and aceheptylene (1972) (4)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. X. An experimental and theoretical study of benzoyl derivatives of benzenoid hydrocarbons and some oxygen- and sulfur-containing heterocyclic analogues (1966) (4)
- Organic light-sensitive compounds. IV. Mechanism of sensitization of light-sensitive polymers by pyrylium salts (1973) (4)
- Electronic spectra and MO-LCAO study of aromatic isothiocyanates (1962) (4)
- Quantum‐Mechanical Energy Calculations in Chemistry (2001) (4)
- Ab initio studies of chemical equilibria. A refined approach to the reaction NH−2 + H2 ⇌ NH3 + H− (1979) (4)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. Introductory remarks (1965) (4)
- Tables of quantum chemical data. VI. Energy characteristics of some alternant hydrocarbons (1965) (4)
- Benzocycloheptenes and heterocyclic analogues as potential drugs. VII. 4-Phenyl-2,3,4,5-tetrahydro-1-benzothiepins and some related compounds (1972) (4)
- On the applicability of the fogo procedure to van der waals molecules (1983) (4)
- On the Relation between the Reaction Velocity and Dielectric Constant of the Medium. (1959) (4)
- Calculations of quartet state spectra for diatomic species by INDO CI method including spin-orbit coupling perturbation (1981) (4)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XII. Chemical reactivity indices of fluoranthene and the benzofluoranthenes (1966) (4)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XV. An HMO study of the amino, nitro, and aza derivatives of fluoranthene (1966) (4)
- The effect of geometry optimization on the reaction barrier height: SCF and MP2 studies of the dissociation and isomerization reactions of formaldehyde (1986) (4)
- Correlation of infra-red intensity data with chemical reactivity indices (1962) (4)
- A semiempirical molecular orbital study of radicals and radical ions derived from carbon oxides (1975) (4)
- Semiempirical estimates of the correlation energy in small clusters of hydrogen atoms (1975) (3)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XV. Kinetics of the dedeuteration of benzenoid hydrocarbons (1968) (3)
- Properties and reactivity in groups of the periodic system: Ion‐molecule reactions CH3X + CH3X+· (X = F through At) (1997) (3)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. IV. An HMO study of amino derivatives of fulvenes and vinylogous fulvenes (1965) (3)
- A theoretical study on acetylene dimer, acetylene- s -tetrazine and acetylene-benzene associates (1988) (3)
- Properties and reactivity of first- and second-row hydrides: Part 31. Reactions between the first-row hydride anions and H2 - interrelationships between nucleophilic and electrophilic elementary reactions (1992) (3)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XVIII. Electronic spectra of arylmethyl cations (1969) (3)
- Ab initio calculations on the equilibrium constant of the reaction NH 2 - + H 2 ⇌ NH 3 + H - by the SCF and many-body Rayleigh-Schrӧdinger perturbation theory (1978) (3)
- Molecular-orbital study of hydroxylation of collagenous proline and lysine. (1971) (3)
- Electronic spectra and semiempirical calculations on dinegative ions of acenaphthylene, fluoranthene and aceheptylene (1972) (3)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. II. Odd-numbered polyenes with a five-membered ring at each end (1965) (3)
- An attempt to construct a hybrid intermolecular potential (1978) (3)
- Estimates of geometry of molecular complexes based on analysis of intermolecular forces (1976) (3)
- Ab initio calculations on theo-benzyne—Ar ando-benzyne—CO complexes (1994) (3)
- Conjugated radicals. XVII. Electronic spectra of radical ions derived from pentaleno[6,6 a ,1,2- def ]heptalene and 2-phenylcyclopent[ cd ]azulene and semiempirical open shell PPP-like calculations (1973) (3)
- Calculations of Henry constants and partition coefficients using quantum chemical approach. (1976) (3)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XI. An experimental and theoretical study of arylphenylmethyl cations and some oxygen- and sulfur-containing heterocyclic analogues (1967) (3)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XIX. Correlations of spectral data and pseudobasicity of the triarylmethane dyes with quantum chemical characteristics (1969) (3)
- Van der Waals Systems (1981) (3)
- Nucleic acid components and their analogues. XXXI. Electronic structure of uracil, 5-azauracil and 6-azauracil (1963) (3)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. V. Indacene-like hydrocarbons (1966) (3)
- Semiempirical variation calculations on the interaction energy of two identical nonpolar systems (1975) (3)
- Interactions between bio(macro)molecules: Models and methods (1988) (2)
- Perturbation treatment of the interactions between nonpolar molecule-nonpolar molecule and polar molecule-polar molecule (1974) (2)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. VI. An HMO study of ions of the cyclopentadienyl series (1966) (2)
- Discriminative interactions between chiral molecules: internal discrimination in 1,2-difluorohydrazine (1985) (2)
- Nature of stationary points on CNDO/2 energy hypersurfaces of van der Waals molecules formed by polar molecules (1980) (2)
- Is the water-induced potential of mean torsion of n-butane transferable to longer n-alkanes? (1993) (2)
- Beryllium and magnesium hydroxides and fluorides (1991) (2)
- Organic Quantum Chemistry Problems (1972) (2)
- Research and education in Czechoslovakia: A few remarks (1993) (2)
- Charge-transfer spectra of conjugated hydrocarbons, their heteroanalogues, and derivatives (1963) (2)
- Formation and physical characteristics of van der Waals molecules, cations, and anions: Estimates of complete basis set values (2005) (2)
- Quantum Chemical Study of Hydroxylation of Alkanes by Hypofluorous Acid (2008) (2)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. III. Ions of the polyenylcyclopentadienyl type (1965) (2)
- Calculations of Henry constants and partition coefficients (1975) (2)
- Properties and reactivity of first and second row hydrides (1992) (2)
- Evaluation of the Rate Constant for the SN2 Reaction CH3F + H- → CH4 + F- in the Gas Phase (1989) (2)
- Weak intermolecular interactions: Introductory remarks and methods used (1974) (2)
- Stability of Charge-Transfer Complexes of CS2 with PH3 and its derivatives: Ab initio MRSDCI/CASSCF Study† (1994) (2)
- Tables of quantum chemical data. IV. Molecular orbitals of hydrocarbons of the pentalene, azulene and heptalene series (1965) (2)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. VIII. (1966) (2)
- Conjugated radicals. XIII. Ground state properties: Ionization potentials, heats of atomization and spin densities (1972) (2)
- Theoretical study of physical properties of activated complexes and metastable intermediates (1977) (2)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XIX. A note on the electronic spectra of the fluorenylium cation and its benzo derivatives (1969) (1)
- Molecular topology and chemical reactivity: Interaction of a chemical bond with simple cubic, body centered cubic and face centered cubic alkali metal lattices (1983) (1)
- Semiempirical EPCE-F2σ correlation energies for Van der Waals complexes and energies of reaction (1978) (1)
- Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. IX. A note on the electronic spectrum of the dibenzo[ a,d ]tropylium cation (1966) (1)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XX. Molecular orbital studies of the chemical reactivity of conjugated systems: Equilibrium and rate processes (1969) (1)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XII. On the basicity of polynuclear aromatic amines (1967) (1)
- Tribute to Pavel Hobza. (2011) (1)
- Associates, Clusters, Intermolecular Complexes, Supramolecular Systems: Van der Waals Species (1992) (1)
- Magnetic Properties of Molecules (1980) (1)
- QUANTUM-CHEMICAL STUDIES OF CHEMICAL CANCEROGENS. (1963) (1)
- Tables of quantum chemical data. VII. Molecular orbitals of indacene-like and some peri -condensed tetracyclic hydrocarbons (1965) (1)
- Substitution, addition and elimination reactions: a quantum chemical study of intermolecular complexes (1991) (1)
- Electronic Spectra of Conjugated Polyynes, Cumulenes and Related Systems: A Theoretical Study (2005) (1)
- Tables of quantum chemical data. XIV. Energy characteristics of some hydrocarbons with exocyclic methylene group (1967) (1)
- Calculation of reaction energies for ion-molecule processes of first-row ions and their hydrides (1989) (1)
- Properties and Reactivity of First and Second Row Hydrides. IV. Interactions Between Hydrides and Their Radical Ions (1993) (1)
- Laboratorní deník : zač jsme bojovali (2008) (1)
- An Attempt at Calculating the Taft's Constants σ* (1959) (1)
- AB INITIO STUDIES ON THE GROUND STATE POTENTIAL SURFACE AND VIBRATIONAL SPECTRA OF NSF AND SNF (1984) (1)
- EMPIRICAL EQUATIONS FOR CORRELATING BIOLOGICAL EFFICIENCY OF ORGANIC COMPOUNDS (1968) (1)
- Perspective on “MO approach to electronic spectra of radicals” Čársky P, Zahradník R (1973) Top Curr Chem 43: 1 (2000) (1)
- Kinetics of dedeuteration of benzoid hydrocarbons (1963) (1)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XXI. Acid-base equilibria of polynuclear phenols and amines (1972) (1)
- Tables of quantum chemical data. III. Molecular orbitals of some fluoranthene-like hydrocarbons, cyclopentadienyl, and some of its benzo and naphtho derivatives (1964) (1)
- A Brief Comment on the Development of the Theory of the Chemical Bond (1980) (0)
- Towards Unified Natural Science (1988) (0)
- CONJUGATED RADICALS PART 18, PHOTOELECTRON SPECTROSCOPY AS A SOURCE OF ELECTRONIC SPECTRAL DATA FOR RADICAL CATIONS (1973) (0)
- Slabé mezimolekulové interakce v chemii a biologii. 1, Teorie (1980) (0)
- [Fluoride ions and apatite recrystallization of apatite in enamel]. (1990) (0)
- WEAK INTERMOLECULAR INTERACTIONS, INTRODUCTORY REMARKS AND METHOD USED (1974) (0)
- OPEN SHELL CNDO TREATMENTS OF SMALL INORGANIC RADICALS (1973) (0)
- CALCULATIONS OF ABSOLUTE VALUES OF EQUILIBRIUM AND RATE CONSTANTS PART 1, DIMERIZATION OF SMALL RADICALS (1974) (0)
- RADICALS- THEIR MOLECULAR ORBITALS, PROPERTIES, AND REACTIVITY (1977) (0)
- The Search for Deeply Colored Organic Compounds (1989) (0)
- Notes on the Solutions and Results (1972) (0)
- Open Shell CNDO Treatments on Small and Aliphatic Radicals (1974) (0)
- CONJUGATED RADICALS PART 19, SEMIEMPIRICAL MO CALCULATIONS ON THE ELECTRONIC SPECTRA OF CONJUGATED HYDROCARBON RADICALS HAVING DEGENERATE GROUND STATES (1974) (0)
- [Fluoridation from the point of view of chemical theory]. (1988) (0)
- Is a Gas-Phase Cannizzaro-Type Reaction Perspective? (1997) (0)
- Empirical calculations on interaction energies of clusters of molecules: The correlation with heats of vapourization (1976) (0)
- Obecná chemie : stručný úvod (2000) (0)
- CALCULATION OF ABSOLUTE VALUES OF EQUILIBRIUM AND RATE CONSTANTS. VII. CNDO 2 2 STUDY OF THE DIFLUOROAMINO RADICAL DIMERIZATION (1976) (0)
- AUTOMATIC GEOMETRY OPTIMIZATION AND VIBRATIONAL ANALYSIS IN AN EXTERNAL ELECTRIC FIELD- ETHYLENE (1978) (0)
- ž / ž / HX species X s F through At in the groups of the periodic 2 system : ž / MP 2 and CCSD T ab initio quantum chemical calculations (1998) (0)
- Properties and Reactivity of First and Second Row Hydrides. Introductory Remarks, Isomerizations, and Inversion Barriers of the AH2, AH3, AH4 and Related Systems (1990) (0)
- Kvantová chemie : základy teorie a aplikace : celostátní vysokoškolská příručka pro studenty přírodovědeckých fakult (1985) (0)
- Book Review: Lecture Notes in Chemistry. Vol. 34: Unified Valence Bond Theory of Electronic Structure. Applications. By N. D. Epiotis (1984) (0)
- Thermodynamics of van der Waals and Hydrophobic Interactions (2008) (0)
- Basic Approximations in the Theory of the Chemical Bond (1980) (0)
- Fluoration du point de vue de la chimie theorique. (1988) (0)
- Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. IV. Kinetics of the reaction of aryl amines with 2,4-dinitrochlorobenzene (1964) (0)
- Perspective on “MO approach to electronic spectra of radicals”Čársky P, Zahradník R (1973) Top Curr Chem 43: 1 (2000) (0)
- Properties and Reactivity in Groups of the Periodic System: Ion-Molecule Reactions CH3X + CH3X+× (X: F Through At). (2010) (0)
- Use of the Solution to the Schrödinger Equation (1980) (0)
- Mathematics and Logic of Quantum Mechanics (1980) (0)
- Theoretical Study of Reactivity of Methane, Methyl Fluoride, and Methyl Chloride: Interaction with Their Radical Cations and Proton Donors (1990) (0)
- A theoretical study of the hydroxyl ion exchange for the fluoride ion in hydroxyapatite from enamel. (1985) (0)
- IR Spectrum of o‐Benzyne: Experiment and Theory. (1992) (0)
- Can fluorosyl hydride be formed or even prepared (1990) (0)
- STUDY OF SOME SUBSTITUTED PYRROLES BY ~ SC NMR SPECTROSCOPY AND CALCULATIONS WITH THE CNDO / 2 APPROXIMATION (0)
- Quantum-Chemical Data (1972) (0)
- Lecture Notes in Chemistry. Vol. 34: Unified Valence Bond Theory of Electronic Structures. Applications. Von N. D. Epiotis. Springer‐Verlag, Berlin 1983. VIII, 585 S., Paperback, DM 96.00 (1984) (0)
- Kvantová chemie : základy teorie a aplikace (1985) (0)
- Cyclopentadienyl-like Compounds (Systems Containing Cyclopentadienyl Skeletons) (1970) (0)
- A Remark on the Comparison between the Roothaan Open Shell and Half-Electron Method (1974) (0)
- CONJUGATED RADICALS PART 17, ELEKTRONIC SPECTRA OF RADICAL IONS DERIVED FROM PENTALENO(6,6A,1,2-DEF)HEPTALENE AND 2-PHENYLCYCLOPENT(CD)AZULENE AND SEMIEMPIRICAL OPEN SHELL PPP-LIKE CALCULATIONS (1973) (0)
- Cycloheptatrienyl-like Compounds (Systems Containing Cycloheptatrienyl Skeletons) (1970) (0)
- Thermal N—H Bond Activation on Anionic and Cationic Platinum Clusters: Non‐Predetermined Reaction Pathways Indicate Transitions to a Bulk Surface Reactivity. (2009) (0)
- Hans Hellmann: Zivotní příběh vědce ve 20. století (2004) (0)
- Řešené úlohy z chemické reaktivity - valitativní a kvantitativní využití metod kvantové chemie (1987) (0)
- [A possibility for the rejuvenation of collagen fiber structures]. (1960) (0)
- J.Heyrovsk Institute of Physical Chemistry and Electrochem.. istry,Czechoslov ak Academy of Sciences,Prag ue,Czechoslovaki (1983) (0)
- Many-Electron Atoms (1980) (0)
- Enzyme test monitors periodontal disease status. (1991) (0)
- ELECTRONIC STRUCTURE OF H2B2O3 AND H2B2S3, BORON-CONTAINING SYSTEMS (1974) (0)
- [Metabolism of aromatic polynuclear hydro carbons and heterocyclic compounds]. (1961) (0)
- Thermochemical Properties and Molecular Stability (1980) (0)
- Derivatives of phthalones as sensitizers in light-sensitive polymers (1976) (0)
- Atomic Orbitals (AO) and Molecular Orbitals (MO) (1980) (0)
- Calculation Methods in the Theory of the Chemical Bond (1980) (0)
- CALCULATIONS OF ABSOLUTE VALUES OF EQUILIBRIUM AND RATE CONSTANTS PART 3, A TEST OF THE APPLICABILITY OF THE SIMPLE STATISTICAL-THERMODYNAMIC APPROACH TO EQUILIBRIUM CONSTANTS OF GAS-PHASE REACTIONS (1974) (0)
- CALCULATIONS OF ABSOLUTE VALUES OF EQUILIBRIUM AND RATE CONSTANTS PART 4, CALCULATIONS OF HENRY CONSTANTS AND PARTITION COEFFICIENTS (1975) (0)
- A CRITICAL REEXAMINATION OF SEMIEMPIRICAL PARAMETERS USED IN PI-ELECTRONIC METHODS OF THE PPP-TYPE (1974) (0)
- Quan tum Chem i cal Study of Hydroxylation of Al kanes by Hypofluorous Acid (2008) (0)
- Isoelectronic Dimers [(XH3)2,(YH2)2,(ZH)2, and (Rg)2] in the Groups of the Periodic System: Ab Initio Quantum Chemical Calculations (1998) (0)
- WEAK INTERMOLECULAR INTERACTIONS PART 5, SEMIEMPIRICAL VARIATION CALCULATIONS ON THE INTERACTION ENERGY OF TWO IDENTICAL NONPOLAR SYSTEMS (1975) (0)
- Symmetry in Quantum Chemistry (1980) (0)
- Interactions between Physics and Biodisciplines within the Framework of Molecular Sciences (2004) (0)
- Myšlení jako vášeň : rozhovor Lenky Jaklové s profesorem Rudolfem Zahradníkem. (1998) (0)
- Key to Code Designations (1970) (0)
- Study of aurones. III. Attempt for theoretical explanation of formation of benzofuran derivative from aurone (1963) (0)
- Tables of quantum chemical data. I. Molecular orbitals of some benzenoid hydrocarbons and benzo derivatives of fluoranthene (1962) (0)
- Theory of Chemical Reactivity (1978) (0)
- CALCULATION OF ABSOLUTE VALUES OF EQUILIBRIUM AND RATE CONSTANTS PART 2, DIMERIZATION OF HOMONUCLEAR BIATOMIC MOLECULES (1974) (0)
- Rozen Reaction. Mechanism of the Oxidation of Organic Molecules with Hypofluorous Acid (2008) (0)
- Examples of the Study of Polyatomic Molecules (1980) (0)
- World of van der Waals Species (1993) (0)
- Relationship between chemical reactivity indices and carcinogenic activity of larger benzenoid hydrocarbons (1963) (0)
This paper list is powered by the following services:
Other Resources About Rudolf Zahradník
What Schools Are Affiliated With Rudolf Zahradník?
Rudolf Zahradník is affiliated with the following schools:
