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Calculation of NMR Chemical Shifts and Spin−Spin Coupling Constants in the Monosaccharide Methyl-β-d-xylopyranoside Using a Density Functional Theory Approach

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-12, Vol.101 (50), p.9756-9762

1997

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Ab initio 2-D periodic Hartree–Fock study of Fe-substituted lizardite 1T– a simplified cronstedtite model

Physics and chemistry of minerals, 2000-12, Vol.27 (10), p.741-746

2000

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Application of a time-concentration model of adsorption for determination of the nature of adsorbent-adsorbate interaction

Colloid and polymer science, 1987-10, Vol.265 (10), p.933-937

1987

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Electronic structure of alumina surface

International journal of quantum chemistry, 1998, Vol.70 (2), p.341-350

1998

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Modeling of interaction properties of surfaces of phyllosilicates: A theoretical forecast of adsorption isotherms of noble gases at the talc surface

International journal of quantum chemistry, 1996-03, Vol.57 (5), p.843-849

1996

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Hypothetical structure of the ATP-binding site of (Na+ + K+)-ATPase

General physiology and biophysics, 1989-06, Vol.8 (3), p.283

1989

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On the serotonin liberation from rat platelets due to betaadrenoceptor blocking drugs

Thrombosis research, 1982-10, Vol.28 (2), p.213-221

1982

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Biotransformation of stobadine, a γ-carboline antiarrhythmic and cardioprotective agent, in rat liver microsomes

Xenobiotica, 1987, Vol.17 (9), p.1067-1073

1987

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Topological properties of the molecular electrostatic potential as a tool for prediction of biological activity

General physiology and biophysics, 1984-08, Vol.3 (4), p.339

1984

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Modeling of Nontraditional Structures of Carbon

Journal of Chemical Information and Computer Sciences, 2001-03, Vol.41 (2), p.451-456

2001

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Heart atrial auriectomy reduces the diuretic and natriuretic responses to a hypertonic saline load

Physiologia Bohemoslovaca, 1987, Vol.36 (2), p.171

1987

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Ab initio 2-D periodic Hartree-Fock study of Fe-substituted lizardite 1 T - a simplified cronstedtite model

Physics and chemistry of minerals, 2000-12, Vol.27 (10), p.741-746

2000

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Mo study of molecular nitrogen fixation II. Model systems: [N 2 + H 2], [N 2 + H 2] +, [N 2 + H 2]

Journal of molecular catalysis, 1979, Vol.6 (4), p.269-288

1979

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The structure and energetics of cryolite melts

Theoretical chemistry accounts, 1998-11, Vol.99 (6), p.378-383

1998

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Effect of the electric field on molecular structure in the MNDO approximation

Collection of Czechoslovak chemical communications, 1986-09, Vol.51 (9), p.1803-1818

1986

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Principles of selectivity of sodium and potassium binding sites of the Na +/K +-ATPase. A corollary hypothesis

Biochimica et biophysica acta, 1988-12, Vol.946 (1), p.129-134

1988

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Biotransformation of stobadine, a γ-carboline anti-arrhythmic and cardioprotective agent, in rat liver microsomes

Xenobiotica, 1987, Vol.17 (9), p.1067-1073

1987

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Valence orbital ionization potentials of K(2)L(8)3 s m 3 p n atoms and ions

Molecular physics, 1975-04, Vol.29 (4), p.1279-1281

1975

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Valence orbital ionization potentials of K(2)L(8)3s m 3p n atoms and ions

Molecular physics, 1975-04, Vol.29 (4), p.1279-1281

1975

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Molecular orbital study of molecular nitrogen fixation

International journal of quantum chemistry, 1979-09, Vol.16 (3), p.485-500

1979

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MO study of molecular nitrogen fixation I. Model systems: [N 2 + H] ., [N 2 + H] +, [N 2 + H]

Journal of molecular catalysis, 1979, Vol.5 (5), p.349-362

1979

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The catalytic influence of transition metals on the sigmatropic hydrogen transfer in olefins studied by MO model calculations

Journal of molecular catalysis, 1977-01, Vol.2 (2), p.83-93

1977

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Molecular orbital calculation of spin-orbit splittings in some halogeno-compounds

Journal of molecular structure, 1981-01, Vol.72, p.177-181

1981

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Regular exercise improves dual tasking performance in patients with Parkinson's disease: Preliminary data

Gait & posture, 2022-09, Vol.97, p.S246-S247

2022

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Power values of sums of binary forms

Publicationes mathematicae (Debrecen), 2006-10, Vol.69 (3), p.321-331

2006

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Calculation of NMR Chemical Shifts and Spin−Spin Coupling Constants in the Monosaccharide Methyl-β-d-xylopyranoside Using a Density Functional Theory Approach

Ab initio 2-D periodic Hartree–Fock study of Fe-substituted lizardite 1T– a simplified cronstedtite model

Application of a time-concentration model of adsorption for determination of the nature of adsorbent-adsorbate interaction

Electronic structure of alumina surface

Modeling of interaction properties of surfaces of phyllosilicates: A theoretical forecast of adsorption isotherms of noble gases at the talc surface

Hypothetical structure of the ATP-binding site of (Na+ + K+)-ATPase

On the serotonin liberation from rat platelets due to betaadrenoceptor blocking drugs

Biotransformation of stobadine, a γ-carboline antiarrhythmic and cardioprotective agent, in rat liver microsomes

Topological properties of the molecular electrostatic potential as a tool for prediction of biological activity

Modeling of Nontraditional Structures of Carbon

Heart atrial auriectomy reduces the diuretic and natriuretic responses to a hypertonic saline load

Ab initio 2-D periodic Hartree-Fock study of Fe-substituted lizardite 1 T - a simplified cronstedtite model

Mo study of molecular nitrogen fixation II. Model systems: [N 2 + H 2], [N 2 + H 2] +, [N 2 + H 2]

The structure and energetics of cryolite melts

Effect of the electric field on molecular structure in the MNDO approximation

Principles of selectivity of sodium and potassium binding sites of the Na +/K +-ATPase. A corollary hypothesis

Biotransformation of stobadine, a γ-carboline anti-arrhythmic and cardioprotective agent, in rat liver microsomes

Valence orbital ionization potentials of K(2)L(8)3 s m 3 p n atoms and ions

Valence orbital ionization potentials of K(2)L(8)3s m 3p n atoms and ions

Molecular orbital study of molecular nitrogen fixation

MO study of molecular nitrogen fixation I. Model systems: [N 2 + H] ., [N 2 + H] +, [N 2 + H]

The catalytic influence of transition metals on the sigmatropic hydrogen transfer in olefins studied by MO model calculations

Molecular orbital calculation of spin-orbit splittings in some halogeno-compounds

Regular exercise improves dual tasking performance in patients with Parkinson's disease: Preliminary data

Power values of sums of binary forms

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