Jaroslav Koutecký

Jaroslav Koutecký's AcademicInfluence.com Rankings

Jaroslav Koutecký

Chemistry

#3737

World Rank

#4777

Historical Rank

Quantum Chemistry

#53

World Rank

#53

Historical Rank

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Chemistry

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Jaroslav Koutecký'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

Quantum Chemistry of Small Clusters of Elements of Groups Ia, Ib, and IIa: Fundamental Concepts, Predictions, and Interpretation of Experiments (1991) (431)
Neutral and Charged Biradicals, Zwitterions, Funnels in S1, and Proton Translocation: Their Role in Photochemistry, Photophysics, and Vision (1987) (301)
Theoretical aspects of metal atom clusters (1986) (266)
Effective core potential‐configuration interaction study of electronic structure and geometry of small neutral and cationic Agn clusters: Predictions and interpretation of measured properties (1993) (207)
OCCUPATION NUMBERS OF NATURAL ORBITALS AS A CRITERION FOR BIRADICAL CHARACTER. DIFFERENT KINDS OF BIRADICALS (1980) (198)
Silicon and germanium clusters. A theoretical study of their electronic structures and properties (1986) (160)
Fundamental equation for the electrolytic current when depending on the formation rate of the depolariser jointly with diffusion and its polarographic verification (1947) (151)
Correction for spherical diffusion to the Il'kovič equation (1953) (143)
Evolution of the electronic structure of lithium clusters between four and eight atoms (1992) (118)
Sudden Polarization in the Zwitterionic Z1 Excited States of Organic Intermediates. Photochemical Implications (1975) (116)
Some Properties of Semiempirical Hamiltonians (1967) (105)
Theoretical interpretation of the photoelectron detachment spectra of Na−2–5 and of the absorption spectra of Na3, Na4, and Na8 clusters (1990) (102)
A contribution to the molecular-orbital theory of chemisorption (1958) (99)
Effective core potential‐configuration interaction study of electronic structure and geometry of small anionic Agn clusters: Predictions and interpretation of photodetachment spectra (1994) (92)
Contribution to the Theory of the Surface Electronic States in the One-Electron Approximation (1957) (90)
The general theory of polarographic kinetic currents (1961) (81)
Electronic and geometric structure of LI4 and Na4 clusters (1980) (77)
Unrestricted Hartree—Fock Solutions for Closed‐Shell Molecules (1967) (73)
Contribution to the Theory of Alternant Systems (1966) (70)
A theory of free radical reactions (1977) (69)
Abinitio MRD CI investigation of the optical spectra of C4 and C5 clusters (1988) (65)
Comparative study of tetramers built from Ia, IIa, IIIa, and IVa atoms (1985) (64)
Ab initio predictions of structural and optical response properties of Na+n clusters: Interpretation of depletion spectra at low temperature (1996) (63)
Calculated properties of alkali metal clusters with fivefold symmetry (1984) (61)
Ab initio configuration interaction study of the electronic and geometric structures of small sodium cationic clusters (1988) (61)
Calculation of Electronic Spectra of Nonalternant Conjugated Hydrocarbons by the Semiempirical Method of Limited Configuration Interaction (1964) (58)
Electronic Structure and Properties of Small Al and Ge Clusters (1984) (54)
Quantum molecular interpretation of the absorption spectra of Na5, Na6, and Na7 clusters (1992) (52)
Chemical Bonding and Electronic Structure of Small Homonuclear Clusters of Elements of Groups IA, IIA, IIIA and IVA (1983) (51)
Ab initio CI study of the electronic structure and geometry of neutral and cationic hydrogenated lithium clusters. Predictions and interpretation of measured properties (1993) (51)
An ab initio configuration interaction study of the excited states of the Na4 cluster: Assignment of the absorption spectrum (1990) (51)
Theoretical study of the interaction of CO with Pd clusters: relations between surface and organometallic chemistry (1987) (49)
The effect of the choice of parameters on the order of energy levels of benzene calculated in the π-electron approximation by the configuration interaction method including double- and triple-excited configurations (1964) (48)
Interpretation of the absorption spectrum of Na8 (1990) (47)
Ab initio configuration‐interaction study of the photoelectron spectra of small sodium cluster anions (1989) (47)
Ab initio study of structural and optical response properties of excess-electron lithium-hydride and sodium-fluoride clusters (1996) (46)
Ab initio SCF and CEPA investigations of stable lithium clusters (1979) (45)
Molecular bonding with scandium: Diatomics ScH, ScO, ScC, and ScN (1988) (45)
Alternancy symmetry: A unified viewpoint (1985) (45)
Complete configuration interaction calculation of singlet energy levels of benzene in π-electron approximation (1965) (45)
Investigation of alkali-metal clusters with pseudopotential multireference double-excitation configuration interaction method (1982) (44)
On Convergence Difficulties in the Iterative Hartree—Fock Procedure (1971) (44)
Abinitio configuration interaction study of mixed BeLik clusters (k=1–9) (1988) (44)
Evaluation of the rate constant of the decomposition of hydrogen peroxide by catalase from the polarographic limiting current of oxygen (1953) (44)
Quantum chemical study of transannular interaction. I. Model of (n,n) paracyclophanes not consideing the benzene rings distortion (1962) (43)
Investigation of the electronic and geometric structure of small Li anionic clusters with quantum chemical CI procedure (1988) (40)
σ−π Contributions in metal-co bond: A theoretical study of RhCO and PdCO (1985) (40)
An ab initio configuration interaction investigation of the excited states of the Li4 cluster (1988) (39)
Stability and other properties of Li13 clusters. An example of specific characteristics of clusters (1984) (39)
Structure and stability of lithium (Li4 and Li6) clusters (1983) (38)
Ab initio CI study of chemical reactions of singlet and triplet imidogen (NH) radicals (1983) (38)
Pseudopotential SCF and Cl investigation of the electronic structure of PdH, PdC and PdCO (1982) (35)
Nature of the chemisorption bond on semiconductor surfaces (1969) (34)
Ab initio configuration interaction study of the electronic and geometric structure of small, mixed neutral and cationic MgNak and MgLik (k=2-8) clusters (1989) (33)
On the theory of surface states (1960) (32)
Theoretical investigation of the interaction between the hydrogen atom and Pd clusters (1985) (28)
A theoretical study of PdCONa and [PdCONa]+ complexes as a simple model of a promoted catalyst (1988) (28)
General principles governing structures of small clusters (1986) (28)
Spin properties of radicaloid alternant hydrocarbons. Exact solutions for representative Pariser–Parr–Pople model systems (1984) (27)
Ab initio hartree-fock investigation of beryllium slabs (1982) (26)
On the nature of the bonding in Mg4 and Ca4 clusters (1982) (26)
Triplet-singlet splitting of the alkali metal clusters : example of the Li6 clusters (1990) (26)
Relative stabilities of hydridocarbonyl and formyl complexes of Rh and Pd: A theoretical study (1988) (25)
Geometrical relaxation in the excited singlet states of propylene (1982) (24)
Mixed-basis approach to the chemisorption problem; example of H chemisorption on Lin clusters which model the Li (100) surface (1984) (23)
Compact formulation of multiconfigurational response theory. Applications to small alkali metal clusters (1993) (23)
Ab initio configuration interaction study of excited states of LiNa3 and Li2Na2 clusters: Interpretation of absorption spectra (1992) (23)
Approximate calculations of correlation energy using one‐electron density‐functional procedures: Application to Lin and Nan clusters (1990) (23)
Electronic states associated with the surfaces of one-dimensional ordered mixed crystals: I. Direct MO-LCAO method (1966) (23)
Possible reinterpretation of the Pariser-Parr-Pople theory (1967) (22)
Low-lying electronic states of Ben clusters (n = 7, 10, 13) and of the Be7H system (1984) (21)
Usefulness of modified virtual orbitals in multireference CI procedure illustrated by calculations on lithium clusters (1985) (21)
Quantum chemical studies on transannular interaction (1963) (21)
Kinetics of electrode processes. XII. Currents due to electrode reactions at the dropping mercury electrode preceded by consecutive reactions in solution (1954) (20)
Contribution to the theory of the Shockley surface states—I: General formulation and the case of zero deformation of the potential on the goodwin-artmann model (1960) (20)
Theoretical Aspects of the Electronic Structure and the Stability of Small Clusters (1984) (20)
Electronic properties and geometric structures of Li4H and Li9H from optical absorption spectra (1995) (20)
Structural and optical properties of small oxygen-doped- and pure-silver clusters (1999) (19)
General properties of the Hartree-Fock problem demonstrated on the frontier orbital model (1975) (19)
A study of interaction of two ethylene molecules by the semiempirical complete configuration interaction method in π-electron approximation (1963) (18)
Second quantization for systems with a constant number of particles in the Dirac notation (1977) (17)
ECP-CI study of electronic structure and geometry of small neutral and charged Agn clusters; Predictions and interpretation of measured properties (1993) (17)
Kinetics of electrode processes. IV. General calculation of the current due to a linear system of electrode reactions involving at most one chemical reaction in solution (1953) (16)
Quantum Chemistry of Crystal Surfaces (2007) (15)
An ab initio configuration interaction study of the reaction between small lithium clusters (Li4, Li6) and H2 molecule (1991) (15)
Ground and excited states properties of Na4Fm=1−3, Li4H and Li4H2 clusters (1993) (15)
Ab initio Hartree-Fock investigation of the interaction between hydrogen monolayers and beryllium slabs (1984) (15)
Quantum Theory of Surface Phenomena (1976) (15)
Natural, Brueckner, and SCF Orbitals for Alternant Systems (1966) (14)
On the nature of the ’’sudden polarization’’ effect in low lying singlet excited states (1978) (13)
Direct minimization of the Hartree—Fock expectation value of the hamiltonian (1972) (13)
Molecular bonding involving scandium: interaction with CO (1986) (12)
Potential energy surfaces of low-lying states of the aluminum trimer (1987) (12)
Comparison of the electronic and geometric structure of Li and Na clusters. An ab initio quantum chemical study (1988) (10)
Core-valence correlation potentials based on density functional theory. Applications to valence-electron-only calculations on Na and K diatomics (1989) (10)
Quantum Chemical Study of the Influence of Geometry on Polarographic Half-Wave Potentials of Conjugated Hydrocarbons* (1967) (10)
Theoretical Studies of Physico-chemical Properties and Reactivity of Azines (1965) (10)
Some Consequences of the Nonlinearity of the Hartree‐Fock Approach, Demonstrated on the Example of the PPP Model for Closed Shell Alternant Hydrocarbons (1972) (9)
Methods of Calculation of Polarographic Currents for Depolarization Schemes involving Reactions of Higher Order (1954) (9)
Note on the Theory of the Kinetics of Polarographic Electrode Processes (1954) (9)
A simple model of hydrogen chemisorption on diamond-like crystals (1964) (9)
The geometric structures and optical response properties of small NanMg clusters (1994) (8)
Kinetics of electrode processes. III. General relations for a linear system of electrode processes (1953) (7)
Application of the self-consistent field method to the theory of surface states of electrons in a crystal (1958) (7)
Theory of the polarographic limiting currents of formaldehyde in unbuffered solutions (1956) (7)
A method for the calculation of localization energies (1959) (7)
Direct minimization of Hartree—Fock energy for alternant hydrocarbons in the PPP model (1971) (7)
Quantum molecular interpretation of absorption spectra of small alkali metal clusters (1991) (6)
Calculation of the excitation energies of benzenium and diphenylmethyl ions by the semiempirical method of limited configuration interaction (1963) (6)
Quantum Chemistry of the Crystal Surface (1964) (6)
A note on the parameters for heteroatoms in Pariser-Parr-Pople (PPP) calculations (1970) (6)
Electronic states of general mixed crystals (1968) (6)
Two notes on the theory of kinetic and catalytic polarographic currents (1963) (6)
General properties of the hartree-fock problem demonstrated on the frontier orbital model (1975) (6)
General properties of the electronic structure of alkali metal clusters and Ia-IIa mixed clusters (1989) (5)
The Study of Annelation Series of Benzenoid Hydrocarbons. I. The Influence of Annelation on the Changes of the Excitation Energy of the p Band (1966) (5)
Unrestricted Hartree-Fock Calculations on Linear-Atomic-Chain Models Yielding the (1967) (5)
Nature of excitations in small alkali metal and other mixed clusters (1993) (4)
A remark on the general perturbation theory (1962) (3)
Ab-initio study of optical response properties of nonstoichiometric lithium-hydride and sodium-fluoride clusters with one- and two-excess electrons (1997) (3)
Quantum Molecular Interpretation of Photodetachment and Photodepletion Spectra of Small Alkali Metal Clusters (1990) (3)
Comment on T. B. Grimley's Paper " The Molecular Orbital Theory of the Interaction between an Atom and a Crystal Surface " (1959) (3)
Quantum-chemical calculations of the polarographic half-wave potentials of conjugated hydrocarbons☆ (1968) (3)
Theory of Surface States and Chemisorption (1978) (3)
Aproximate pairing properties of SCF solutions in highly symmetric heteroatomic systems (1967) (3)
Nature of the “sudden polarization” effect and its role in photochemistry (2009) (3)
Quantum chemical study of electronic and dynamic properties of metal and mixed non-stoichiometric clusters (1998) (2)
Electronic Structure of Small Carbon, Silicon, and Germanium Clusters (1987) (2)
The Electronic and Geometrical Structure of Small Elemental Clusters (1988) (2)
Some comments on the stable forms of small alkali metal clusters (1986) (1)
Ab initio Configuration Interaction Study of Mixed BeLik Clusters (k = 1-9) (1989) (1)
Partitioning of the Hamiltonian operator in the lie algebra formalism. Applications to the generalized brillouin theorem and the open-shell Hartree-Fock approximation (1990) (1)
Ab initio Calculations of the Rotation-Vibration Spectrum of Na3+ (1993) (1)
Electronic Structure and Basic Properties of Small Alkali Metal Clusters (1987) (1)
Methods for Surface Quantum Chemistry (1976) (1)
Introductory Remarks to Symposium 5b: Large Molecules and Solid State Theory (1983) (1)
Quantum molecular interpretation of optical response properties of simple metal clusters (1992) (1)
Some problems of surface quantum chemistry (2009) (1)
Theoretical Interpretation of Optical Response Properties of Simple Metal Clusters (1992) (1)
Treatment of small metallic clusters with quantum chemical methods (1987) (1)
Ab initio calculations on three isomers of LiC2H2 (1989) (1)
Quantum Molecular Interpretation of Photodetachment and Photodepletion Spectra of Small Alkali Metal Clusters. (1991) (0)
Direct minimization of the hartree‐fock energy for alternant open shell molecules in the PPP model (2009) (0)
Ab initio Molecular Dynamics for Determination of Structures of Alkali Metal Clusters and Their Temperatures Behavior; An Example of Li 9 + (1998) (0)
Electronic Structure of Metal and Mixed Nonstoichiometric Clusters (2002) (0)
Introductory Remarks to Symposium 3: Molecular Interactions (1980) (0)
Quantum Chemical Investigation of Alkali Metal Clusters and Its Use for Interpretation and Predictions of Experiments in Cluster Research (1988) (0)
MEASURING AND EVALUATING SCIENTIFIC PERFORMANCE IN THE CZECH REPUBLIC (1997) (0)
A CONTRIBUTION TO THE THEORY OF POLAROGRAPHIC CURRENTS, INFLUENCED BY AN ADSORPTION OF AN ELECTROINACTIVE SUBSTANCE (1960) (0)
Silicon and Germanium Clusters. Theoretical Study of Their Electronic Structures and Properties. (1986) (0)
Two remarks concerning the properties of the Dewar reactivity number (1961) (0)
Quantum Chemical Investigation of Absorption Spectra of Small Alkali Metal Clusters; Molecular Dimensionality Transition (2D–3D) (1992) (0)
Remarks on Calculations of Molecular Electronic Structure (1974) (0)
Description of the Diradical State by the Direct Minimization Method (1974) (0)
Convergence difficulties in the hartree-fock procedure for the PPP model of alternant hydrocarbons (2009) (0)
Comment on the possibility of the CO chemisorption on alkali metal surface (1986) (0)
A note on the approximation solution of the equation (1956) (0)
Topological Properties of Small Li Clusters and the PariserParrPopleType PariserParrPopleType PariserParrPopleType ParrPopleType ParrPopleType PopleType PopleType Model * (2018) (0)
Ab Initio Configuration Interaction Study of Electronic and Geometric Structure of Alkali Metal Clusters (1989) (0)

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What Schools Are Affiliated With Jaroslav Koutecký?

Jaroslav Koutecký is affiliated with the following schools:

Free University of Berlin
Johns Hopkins University

Jaroslav Koutecký's Academic­Influence.com Rankings

Why Is Jaroslav Koutecký Influential?

Jaroslav Koutecký's Published Works

Published Works

What Schools Are Affiliated With Jaroslav Koutecký?

Jaroslav Koutecký's AcademicInfluence.com Rankings