| Year |
Citation |
Score |
| 2008 |
Srnec M, Oncak M, Zahradník R. Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: a theoretical study of unusual H-bond-assisted catalysis. The Journal of Physical Chemistry. A. 112: 3631-7. PMID 18355062 DOI: 10.1021/Jp711676M |
0.672 |
|
| 2008 |
Ončák M, Cao Y, Beyer MK, Zahradník R, Schwarz H. Gas-phase reactivities of charged platinum dimers with ammonia: A combined experimental/theoretical study Chemical Physics Letters. 450: 268-273. DOI: 10.1016/J.Cplett.2007.11.059 |
0.305 |
|
| 2007 |
Srnec M, Zahradník R. Small Group IIa–VIa Clusters and Related Systems: A Theoretical Study of Physical Properties, Reactivity, and Electronic Spectra European Journal of Inorganic Chemistry. 2007: 1529-1543. DOI: 10.1002/Ejic.200600816 |
0.695 |
|
| 2006 |
Hobza P, Zahradník R, Müller-Dethlefs K. The World of Non-Covalent Interactions: 2006 Collection of Czechoslovak Chemical Communications. 71: 443-531. DOI: 10.1135/Cccc20060443 |
0.516 |
|
| 2005 |
Zahradník R, Srnec M, Havlas Z. Electronic Spectra of Conjugated Polyynes, Cumulenes and Related Systems: A Theoretical Study Collection of Czechoslovak Chemical Communications. 70: 559-578. DOI: 10.1135/Cccc20050559 |
0.746 |
|
| 2005 |
Srnec M, Zahradník R. Diatomics AB (A=Be, Mg; B=O, S) and oligomers thereof: A theoretical study Chemical Physics Letters. 407: 283-288. DOI: 10.1016/J.Cplett.2005.03.061 |
0.68 |
|
| 2005 |
Zahradník R, ??roubková L. Formation and physical characteristics of van der Waals molecules, cations, and anions: Estimates of complete basis set values International Journal of Quantum Chemistry. 104: 52-63. DOI: 10.1002/Qua.20579 |
0.349 |
|
| 2003 |
Zahradník R, Šroubková L. Estimates of quantum chemical molecular characteristics for complete basis sets Israel Journal of Chemistry. 43: 243-265. DOI: 10.1560/Kjpv-Mpgq-Nvvx-252K |
0.385 |
|
| 2003 |
Zahradník R, Šroubková L. Polyacetylenes and Cumulenes, Potential Elements for Molecular Machines and Precursors of Carbon Clusters: A Theoretical Study Helvetica Chimica Acta. 86: 979-1000. DOI: 10.1002/Hlca.200390115 |
0.362 |
|
| 2001 |
Šroubková L, Zahradník R. Quantum-Mechanical Energy Calculations in Chemistry Helvetica Chimica Acta. 84: 1328-1341. DOI: 10.1002/1522-2675(20010613)84:6<1328::Aid-Hlca1328>3.0.Co;2-0 |
0.313 |
|
| 1998 |
Burda JV, Hobza P, Zahradnı́k R. (HX)2 species (X=F through At) in the groups of the periodic system: Chemical Physics Letters. 288: 20-24. DOI: 10.1016/S0009-2614(98)00262-0 |
0.387 |
|
| 1997 |
Burda JV, Hobza P, Zahradník R. Properties and Reactivity in Groups of the Periodic System: Ion−Molecule Reactions HX + HX•+(X = F, Cl, Br, I, At) The Journal of Physical Chemistry A. 101: 1134-1139. DOI: 10.1021/Jp961152C |
0.516 |
|
| 1997 |
Nachtigallová D, Roeselová M, Zahradník R. Ab initio studies of the oxidation of methane with oxo-metal cations Chemical Physics Letters. 270: 357-362. DOI: 10.1016/S0009-2614(97)00379-5 |
0.339 |
|
| 1997 |
Zahradník R, Šroubková L. Properties and reactivity in groups of the periodic system: Ion-molecule reactions CH3X + CH3X+·(X = F through At) Helvetica Chimica Acta. 80: 2100-2111. DOI: 10.1002/Hlca.19970800710 |
0.369 |
|
| 1996 |
BURDA JV, ZAHRADNÍK R, HOBZA P. 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 Molecular Physics. 89: 425-432. DOI: 10.1080/002689796173804 |
0.398 |
|
| 1995 |
Polášek M, Zahradník R. A quantum chemical study of small beryllium hydrides and their radical anions International Journal of Quantum Chemistry. 54: 93-98. DOI: 10.1002/Qua.560540204 |
0.38 |
|
| 1994 |
Jungwirth P, Zahradnik R. Association and dissociation of nonpolar and polar van der Waals pairs in water. Manifestation of the hydrophobic and hydrophilic effect The Journal of Physical Chemistry. 98: 1328-1332. DOI: 10.1021/J100055A046 |
0.516 |
|
| 1994 |
Zahradník R, Hobza P, Burcl R, Andes Hess B. Strained unsaturated molecules. Theoretical study of acyclic and cyclic cumulenes and acetylenes Journal of Molecular Structure: Theochem. 313: 335-349. DOI: 10.1016/0166-1280(94)85015-1 |
0.507 |
|
| 1994 |
Jungwirth P, Zahradník R. The entropy driven hydrophobic effect as a function of solute—solvent interactions. A molecular dynamics study Chemical Physics Letters. 217: 319-324. DOI: 10.1016/0009-2614(93)E1402-3 |
0.484 |
|
| 1994 |
Hobza P, Zahradnik R, Hess BA, Radziszewski JG. Ab initio calculations on theo-benzyne?Ar ando-benzyne?CO complexes Theoretica Chimica Acta. 88: 233-241. DOI: 10.1007/Bf01113616 |
0.491 |
|
| 1994 |
Zahradník R, Jungwirth P, Urban J, Polášek M. Stability of Charge-Transfer Complexes of CS2with PH3and its derivatives:Ab initioMRSDCI/CASSCF Study Helvetica Chimica Acta. 77: 1810-1816. DOI: 10.1002/Hlca.19940770712 |
0.536 |
|
| 1993 |
Zahradník R, Hobza P, Wichterlová B, Čejka J. 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 Collection of Czechoslovak Chemical Communications. 58: 2474-2488. DOI: 10.1135/Cccc19932474 |
0.466 |
|
| 1993 |
Hobza P, Zahradník R. World of van der Waals Species Collection of Czechoslovak Chemical Communications. 58: 1465-1475. DOI: 10.1135/Cccc19931465 |
0.481 |
|
| 1993 |
Zahradník R. Properties and Reactivity of First and Second Row Hydrides. IV. Interactions Between Hydrides and Their Radical Ions Collection of Czechoslovak Chemical Communications. 58: 1-10. DOI: 10.1135/Cccc19930001 |
0.328 |
|
| 1993 |
Zahradník R. Theoretical studies in the realm of chemical reactivity: Noncatalytic and catalytic reactions Journal of Molecular Catalysis. 82: 265-273. DOI: 10.1016/0304-5102(93)80036-T |
0.31 |
|
| 1993 |
Jungwirth P, Zahradník R. 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 Journal of Molecular Structure: Theochem. 283: 317-320. DOI: 10.1016/0166-1280(93)87143-2 |
0.464 |
|
| 1993 |
Jungwirth P, Zahradník R. Is the water-induced potential of mean torsion of n-butane transferable to longer n-alkanes? Chemical Physics Letters. 212: 211-217. DOI: 10.1016/0009-2614(93)89316-A |
0.483 |
|
| 1993 |
Hobza P, Zahradník R, Smith D. Reactions between H+3 and rare gas atoms Chemical Physics Letters. 208: 497-502. DOI: 10.1016/0009-2614(93)87179-7 |
0.468 |
|
| 1992 |
Mehlhorn A, Hess BA, Zahradnik R. 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 Journal of Molecular Structure: Theochem. 277: 67-80. DOI: 10.1016/0166-1280(92)87130-R |
0.349 |
|
| 1992 |
Mehlhorn A, Hess BA, Zahradník R. Properties and reactivity of first and second row hydrides. Part 2. Reactions between the hydride cations and H2 and related processes Journal of Molecular Structure: Theochem. 258: 1-13. DOI: 10.1016/0166-1280(92)85029-K |
0.348 |
|
| 1992 |
Hobza P, Zahradník R. An essay on the theory and calculations of intermolecular interactions International Journal of Quantum Chemistry. 42: 581-590. DOI: 10.1002/Qua.560420407 |
0.464 |
|
| 1992 |
Hobza P, Zahradnik R. Associates, Clusters, Intermolecular Complexes, Supramolecular Systems: Van der Waals Species Berichte Der Bunsengesellschaft FüR Physikalische Chemie. 96: 1294-1298. DOI: 10.1002/bbpc.19920960944 |
0.355 |
|
| 1991 |
Zahradník R, Hess BA. Substitution, addition and elimination reactions: a quantum chemical study of intermolecular complexes Journal of Molecular Structure: Theochem. 230: 387-400. DOI: 10.1016/0166-1280(91)85191-9 |
0.323 |
|
| 1991 |
Zahradník R, Balaji V, Michl J. An SCF study of 10-vertex and 12-vertex boranes and heteroboranes Journal of Computational Chemistry. 12: 1147-1156. DOI: 10.1002/Jcc.540120914 |
0.342 |
|
| 1990 |
Zahradník R, Hess BA. Can fluorosyl hydride be formed or even prepared? Collection of Czechoslovak Chemical Communications. 55: 890-895. DOI: 10.1135/Cccc19900890 |
0.35 |
|
| 1990 |
Zahradník R, Havlas Z, Hess BA, Hobza P. Properties and reactivity of first and second row hydrides. Introductory remarks, isomerizations, and inversion barriers of the AH2, AH3, AH4 and related systems Collection of Czechoslovak Chemical Communications. 55: 869-889. DOI: 10.1135/Cccc19900869 |
0.66 |
|
| 1990 |
ZAHRADNIK R, HAVLAS Z, HESS BAJ, HOBZA P. ChemInform Abstract: Properties and Reactivity of First and Second Row Hydrides. Introductory Remarks, Isomerizations, and Inversion Barriers of the AH2, AH3, AH4 and Related Systems Cheminform. 21. DOI: 10.1002/chin.199031001 |
0.592 |
|
| 1989 |
Herman Z, Zahradník R. Calculation of reaction energies for ion-molecule processes of first-row ions and their hydrides Collection of Czechoslovak Chemical Communications. 54: 2910-2918. DOI: 10.1135/Cccc19892910 |
0.321 |
|
| 1989 |
Hofmann H, Hobza P, Cammi R, Tomasi J, Zahradník R. Metal ion interactions with water and ammonia Journal of Molecular Structure: Theochem. 201: 339-350. DOI: 10.1016/0166-1280(89)87086-1 |
0.382 |
|
| 1989 |
Jungwirth P, Skála L, Zahradník R. The parity non-conserving energy difference between enantiomers and a consequence of the CPT theorem for molecule-antimolecule pairs Chemical Physics Letters. 161: 502-506. DOI: 10.1016/0009-2614(89)87028-9 |
0.482 |
|
| 1989 |
Zahradník R, Achenbach F. Theoretical approaches to interactions between biomolecules: Legends and approximations to reality International Journal of Quantum Chemistry. 35: 167-180. DOI: 10.1002/Qua.560350110 |
0.317 |
|
| 1989 |
MERKEL A, HAVLAS Z, ZAHRADNIK R. ChemInform Abstract: Evaluation of the Rate Constant for the SN2 Reaction CH3F + H- → CH4 + F- in the Gas Phase Cheminform. 20. DOI: 10.1002/chin.198912096 |
0.492 |
|
| 1988 |
Zahradnik R, Hobza P. On the role of van der Waals interactions in organic chemistry Pure and Applied Chemistry. 60: 245-252. DOI: 10.1351/Pac198860020245 |
0.417 |
|
| 1988 |
Petrusová H, Havlas Z, Hobza P, Zahradník R. A theoretical study on acetylene dimer, acetylene-s-tetrazine and acetylene-benzene associates Collection of Czechoslovak Chemical Communications. 53: 2495-2502. DOI: 10.1135/Cccc19882495 |
0.655 |
|
| 1988 |
Merkel A, Havlas Z, Zahradnik R. Evaluation of the rate constant for the SN2 reaction fluoromethane + hydride .fwdarw. methane + fluoride in the gas phase Journal of the American Chemical Society. 110: 8355-8359. DOI: 10.1021/Ja00233A012 |
0.53 |
|
| 1988 |
Hobza P, Zahradnik R. Intermolecular interactions between medium-sized systems. Nonempirical and empirical calculations of interaction energies. Successes and failures Chemical Reviews. 88: 871-897. DOI: 10.1021/Cr00088A004 |
0.47 |
|
| 1988 |
Havlas Z, Merkel A, Kalcher J, Janoschek R, Zahradník R. Ab initio quantum chemical study of the SN2 reaction, CH3F+H− → CH4+F−, in the gas phase Chemical Physics. 127: 53-63. DOI: 10.1016/0301-0104(88)87106-4 |
0.586 |
|
| 1987 |
Hobza P, Schneider B, Sauer J, Čársky P, Zahradník R. MP4 Interaction energies and basis set superposition errors for the (H2)2dimer Chemical Physics Letters. 134: 418-422. DOI: 10.1016/0009-2614(87)87165-8 |
0.556 |
|
| 1986 |
Hess BA, Schaad LJ, Carsky P, Zahradnik R. Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules Chemical Reviews. 86: 709-730. DOI: 10.1021/Cr00074A004 |
0.306 |
|
| 1986 |
Havlas Z, Kovář T, Zahradník R. The effect of geometry optimization on the reaction barrier height: SCF and MP2 studies of the dissociation and isomerization reactions of formaldehyde Journal of Molecular Structure: Theochem. 136: 239-245. DOI: 10.1016/0166-1280(86)80139-7 |
0.564 |
|
| 1986 |
Hobza P, Mehlhorn A, Čársky P, Zahradník R. Stacking interactions: Ab initio SCF and MP2 study on (H2O)2, (H2S)2, (HCN)2, (CH2O)2 and (C2H4)2 Journal of Molecular Structure: Theochem. 138: 387-399. DOI: 10.1016/0166-1280(86)80030-6 |
0.5 |
|
| 1986 |
Hobza P, Schneider B, Čársky P, Zahradník R. The superposition error problem: The (HF)2 and (H2O)2 complexes at the SCF and MP2 levels Journal of Molecular Structure: Theochem. 138: 377-385. DOI: 10.1016/0166-1280(86)80029-X |
0.624 |
|
| 1986 |
Zahradník R, Hobza P. Weak intermolecular interactions: Statics and dynamics International Journal of Quantum Chemistry. 29: 663-676. DOI: 10.1002/Qua.560290409 |
0.511 |
|
| 1986 |
HAVLAS Z, KOVAR T, ZAHRADNIK R. ChemInform Abstract: Does Fluoroformic Acid Exist? Chemischer Informationsdienst. 17. DOI: 10.1002/chin.198613058 |
0.457 |
|
| 1985 |
Zahradník R, Schneider B, Hobza P, Havlas Z, Huber H. Discriminative interactions between chiral molecules: internal discrimination in 1,2-difluorohydrazine Canadian Journal of Chemistry. 63: 1639-1641. DOI: 10.1139/V85-275 |
0.729 |
|
| 1985 |
Havlas Z, Bauwe E, Zahradník R. On the formation of C2H8+ in the reaction CH4+ + CH4 → CH3 + CH5+: A theoretical study Chemical Physics Letters. 121: 330-333. DOI: 10.1016/0009-2614(85)87187-6 |
0.468 |
|
| 1985 |
Havlas Z, Kovar T, Zahradnik R. Does fluoroformic acid exist? Journal of the American Chemical Society. 107: 7243-7246. DOI: 10.1002/Chin.198613058 |
0.5 |
|
| 1985 |
HAVLAS Z, ZAHRADNIK R. ChemInform Abstract: THEORETICAL STUDIES OF REACTION MECHANISM IN CHEMISTRY Chemischer Informationsdienst. 16. DOI: 10.1002/chin.198519370 |
0.5 |
|
| 1984 |
Hobza P, Zahradník R, Ladik J. Origin of high efficiency and specificity of biochemical reactions International Journal of Quantum Chemistry. 26: 857-872. DOI: 10.1002/Qua.560260523 |
0.474 |
|
| 1984 |
Sauer J, Zahradník R. Quantum chemical studies on zeolites and silica International Journal of Quantum Chemistry. 26: 793-822. DOI: 10.1002/Qua.560260519 |
0.497 |
|
| 1984 |
Havlas Z, Zahradník R. Theoretical studies of reaction mechanism in chemistry International Journal of Quantum Chemistry. 26: 607-619. DOI: 10.1002/Chin.198519370 |
0.543 |
|
| 1984 |
Zahradník R. Book Review: Lecture Notes in Chemistry. Vol. 34: Unified Valence Bond Theory of Electronic Structure. Applications. By N. D. Epiotis Angewandte Chemie International Edition in English. 23: 1002-1002. DOI: 10.1002/Anie.198410021 |
0.301 |
|
| 1983 |
Hobza P, Hofmann HJ, Zahradnik R. 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+) The Journal of Physical Chemistry. 87: 573-578. DOI: 10.1021/J100227A012 |
0.439 |
|
| 1983 |
Huber H, Hobza P, Zahradník R. On the applicability of the fogo procedure to van der waals molecules Journal of Molecular Structure: Theochem. 103: 245-257. DOI: 10.1016/0166-1280(83)85024-6 |
0.503 |
|
| 1983 |
Pancír̆ J, Zahradník R. Molecular topology and chemical reactivity: Interaction of a chemical bond with simple cubic, body centered cubic and face centered cubic alkali metal lattices Journal of Molecular Structure. 94: 25-35. DOI: 10.1016/0022-2860(83)90258-2 |
0.314 |
|
| 1983 |
Hobza P, Zahradník R. Van der Waals molecules: Quantum chemistry, physical properties, and reactivity International Journal of Quantum Chemistry. 23: 325-338. DOI: 10.1002/qua.560230128 |
0.393 |
|
| 1982 |
Sauer J, Čársky P, Zahradník R. INDO/S calculations on simple silicon compounds and some silicon organic molecules Collection of Czechoslovak Chemical Communications. 47: 1149-1168. DOI: 10.1135/Cccc19821149 |
0.49 |
|
| 1982 |
Fabian J, Mayer R, Bleisch S, Zahradník R. ELECTRONIC EXCITATION OF ORGANOSULFUR RADICALS Phosphorus and Sulfur and the Related Elements. 13: 107-117. DOI: 10.1080/03086648208078987 |
0.383 |
|
| 1981 |
Hobza P, Sauer J, Morgeneyer C, Hurych J, Zahradnik R. Bonding ability of surface sites on silica and their effect on hydrogen bonds. A quantum-chemical and statistical thermodynamic treatment The Journal of Physical Chemistry. 85: 4061-4067. DOI: 10.1021/J150626A022 |
0.57 |
|
| 1981 |
Hobza P, Hofmann H, Zahradník R. The CO2⋯HF complex: A theoretical study (4–31G, 6–31G* + dispersion energy) of the stationary points and thermodynamics of formation Journal of Molecular Structure: Theochem. 85: 241-247. DOI: 10.1016/0166-1280(81)85022-1 |
0.479 |
|
| 1981 |
Hobza P, Zahradník R. Formation of hydrogen-bonded van der waals molecules: applicability of 3–21G intermolecular interaction energies Chemical Physics Letters. 82: 473-477. DOI: 10.1016/0009-2614(81)85423-1 |
0.497 |
|
| 1980 |
Hobza P, Pancíř J, Zahradník R. Nature of stationary points on CNDO/2 energy hypersurfaces of van der Waals molecules formed by polar molecules Collection of Czechoslovak Chemical Communications. 45: 1323-1330. DOI: 10.1135/Cccc19801323 |
0.505 |
|
| 1980 |
Sauer J, Hobza P, Zahradnik R. Quantum chemical investigation of interaction sites in zeolites and silica The Journal of Physical Chemistry. 84: 3318-3326. DOI: 10.1021/J100461A036 |
0.563 |
|
| 1980 |
Čársky P, Zahradník R, Hubač I, Urban M, Vladimír. 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 Theoretical Chemistry Accounts. 56: 315-328. DOI: 10.1007/Bf00552595 |
0.344 |
|
| 1979 |
Hobza P, Čársky P, Zahradník R. The dimer (HCl)2: Stationary points on the SCF 4-31G energy hypersurface and the role of entropy in the dimer formation Collection of Czechoslovak Chemical Communications. 44: 3458-3463. DOI: 10.1135/Cccc19793458 |
0.494 |
|
| 1979 |
Čársky P, Zahradník R. 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 Journal of Molecular Structure. 54: 247-255. DOI: 10.1016/0022-2860(79)80073-3 |
0.342 |
|
| 1979 |
Čársky P, Zahradník R, Urban M, Kellö V. Ab initio studies of chemical equilibria. A refined approach to the reaction NH−2 + H2 ⇌ NH3 + H− Chemical Physics Letters. 61: 85-87. DOI: 10.1016/0009-2614(79)85091-5 |
0.36 |
|
| 1979 |
Hobza P, Zahradník R, Čársky P. Clusters of hydrogen molecules: Ab initio SCF calculations corrected semiempirically for correlation energies Theoretica Chimica Acta. 53: 1-7. DOI: 10.1007/Bf00547603 |
0.499 |
|
| 1979 |
Hobza P, Čársky P, Zahradník R. Role of entropy in formation of van der Waals complexes International Journal of Quantum Chemistry. 16: 257-260. DOI: 10.1002/Qua.560160206 |
0.401 |
|
| 1978 |
Heidrich D, Hobza P, Čársky P, Zahradník R. Effect of correlation energy on the stability of classical and nonclassical structures of protonated benzene Collection of Czechoslovak Chemical Communications. 43: 3020-3023. DOI: 10.1135/Cccc19783020 |
0.47 |
|
| 1978 |
Thang ND, Hobza P, Pancíř J, Zahradník R. Semiempirical energy hypersurface of the formaldehyde-water complex and methyl derivatives thereof Collection of Czechoslovak Chemical Communications. 43: 1366-1374. DOI: 10.1135/Cccc19781366 |
0.444 |
|
| 1978 |
Havlas Z, Hobza P, Zahradník R. An attempt to construct a hybrid intermolecular potential Collection of Czechoslovak Chemical Communications. 43: 1356-1365. DOI: 10.1135/Cccc19781356 |
0.602 |
|
| 1978 |
Hobza P, Čársky P, Zahradník R. Semiempirical EPCE-F2σ correlation energies for Van der Waals complexes and energies of reaction Collection of Czechoslovak Chemical Communications. 43: 676-680. DOI: 10.1135/Cccc19780676 |
0.475 |
|
| 1978 |
Beran S, Carsky P, Hobza P, Panciř J, Polak R, Slanina Z, Zahradnik R. Theory of Chemical Reactivity Russian Chemical Reviews. 47: 1025-1041. DOI: 10.1070/Rc1978V047N11Abeh002291 |
0.393 |
|
| 1977 |
Hobza P, Zahradník R. Electronic structure of established and potential oxidizing agents in biological systems. Journal of Theoretical Biology. 66: 461-74. PMID 886877 DOI: 10.1016/0022-5193(77)90296-X |
0.494 |
|
| 1977 |
Slanina Z, Berák P, Zahradník R. Applicability of semiempirical methods in calculations of equilibrium constants of gas-phase chemical reactions Collection of Czechoslovak Chemical Communications. 42: 1-15. DOI: 10.1135/Cccc19770001 |
0.323 |
|
| 1976 |
Zahradník R, Hobza P, Slanina Z. Calculations of Henry constants and partition coefficients using quantum chemical approach. Experientia. Supplementum. 23: 217-30. PMID 954937 DOI: 10.1007/978-3-0348-5795-6_32 |
0.378 |
|
| 1976 |
Hobza P, Stružinský R, Thang ND, Zahradník R. Empirical calculations on interaction energies of clusters of molecules: The correlation with heats of vapourization Collection of Czechoslovak Chemical Communications. 41: 1727-1739. DOI: 10.1135/Cccc19761727 |
0.475 |
|
| 1976 |
Hobza P, Zahradník R. Estimates of geometry of molecular complexes based on analysis of intermolecular forces Collection of Czechoslovak Chemical Communications. 41: 1111-1120. DOI: 10.1135/Cccc19761111 |
0.432 |
|
| 1976 |
Pancíř J, Zahradník R. A deeper insight into the structure and isomerization reactions of the cyclopropenyl-type systems Tetrahedron. 32: 2257-2260. DOI: 10.1016/0040-4020(76)85142-3 |
0.317 |
|
| 1976 |
Čársky P, Zahradník R, Kozák I. Ab initio calculations of the equilibrium constants of the gas-phase reactions C2H2 + OH− [rlhar2] C2H- + H2O and Li + H2O [rlhar2] LiOH + H Chemical Physics Letters. 41: 165-167. DOI: 10.1016/0009-2614(76)85273-6 |
0.343 |
|
| 1976 |
Huber H, Čársky P, Zahradník R. Direct calculation of the energy gradient with cartesian Gaussian basis sets Theoretica Chimica Acta. 41: 217-221. DOI: 10.1007/Bf01151956 |
0.308 |
|
| 1976 |
SLANINA Z, SCHLANGER J, ZAHRADNIK R. ChemInform Abstract: CALCULATION OF ABSOLUTE VALUES OF EQUILIBRIUM AND RATE CONSTANTS. VII. CNDO 2 2 STUDY OF THE DIFLUOROAMINO RADICAL DIMERIZATION Chemischer Informationsdienst. 7: no-no. DOI: 10.1002/Chin.197645013 |
0.308 |
|
| 1975 |
Hobza P, Zahradník R. Semiempirical variation calculations on the interaction energy of two identical nonpolar systems Collection of Czechoslovak Chemical Communications. 40: 809-814. DOI: 10.1135/Cccc19750809 |
0.489 |
|
| 1975 |
Zahradník R, Hobza P, Slanina Z. Calculations of Henry constants and partition coefficients Collection of Czechoslovak Chemical Communications. 40: 799-808. DOI: 10.1135/Cccc19750799 |
0.487 |
|
| 1975 |
Čársky P, Zahradník R, Hobza P. Semiempirical estimates of the correlation energy in small clusters of hydrogen atoms Theoretica Chimica Acta. 40: 287-295. DOI: 10.1007/Bf00668334 |
0.462 |
|
| 1975 |
ZAHRADNIK R, HOBZA P, SLANINA Z. ChemInform Abstract: CALCULATIONS OF ABSOLUTE VALUES OF EQUILIBRIUM AND RATE CONSTANTS PART 4, CALCULATIONS OF HENRY CONSTANTS AND PARTITION COEFFICIENTS Chemischer Informationsdienst. 6: no-no. DOI: 10.1002/Chin.197524110 |
0.389 |
|
| 1975 |
HOBZA P, ZAHRADNIK R. ChemInform Abstract: WEAK INTERMOLECULAR INTERACTIONS PART 5, SEMIEMPIRICAL VARIATION CALCULATIONS ON THE INTERACTION ENERGY OF TWO IDENTICAL NONPOLAR SYSTEMS Chemischer Informationsdienst. 6. DOI: 10.1002/chin.197524091 |
0.42 |
|
| 1974 |
Hobza P, Zahradník R. Weak intermolecular interactions: Introductory remarks and methods used Collection of Czechoslovak Chemical Communications. 39: 2857-2865. DOI: 10.1135/Cccc19742857 |
0.438 |
|
| 1974 |
Kuhn J, Čársky P, Zahradník R. Semiempirical MO calculations on the electronic spectra of conjugated hydrocarbon radicals having degenerate ground states Collection of Czechoslovak Chemical Communications. 39: 2175-2199. DOI: 10.1135/Cccc19742175 |
0.347 |
|
| 1974 |
Slanina Z, Hobza P, Zahradník R. Dimerization of homonuclear biatomic molecules Collection of Czechoslovak Chemical Communications. 39: 228-235. DOI: 10.1135/Cccc19740228 |
0.452 |
|
| 1974 |
Kuhn J, Čársky P, Zahradnik R. SCF-CI MO treatment of radicals having degenerate ground states Theoretica Chimica Acta. 33: 263-268. DOI: 10.1007/Bf00551260 |
0.331 |
|
| 1974 |
Hobza P, Zahradník R. Perturbation treatment of the interactions between nonpolar molecule-nonpolar molecule and polar molecule-polar molecule Collection of Czechoslovak Chemical Communications. 39: 2866-2876. DOI: 10.1002/Chin.197452002 |
0.448 |
|
| 1974 |
HOBZA P, ZAHRADNIK R. ChemInform Abstract: WEAK INTERMOLECULAR INTERACTIONS, INTRODUCTORY REMARKS AND METHOD USED Chemischer Informationsdienst. 5. DOI: 10.1002/chin.197452001 |
0.372 |
|
| 1974 |
SLANINA Z, HOBZA P, ZAHRADNIK R. ChemInform Abstract: CALCULATION OF ABSOLUTE VALUES OF EQUILIBRIUM AND RATE CONSTANTS PART 2, DIMERIZATION OF HOMONUCLEAR BIATOMIC MOLECULES Chemischer Informationsdienst. 5: no-no. DOI: 10.1002/Chin.197415028 |
0.406 |
|
| 1973 |
Hobza P, Hurych J, Zahradník R. Quantum chemical study of the mechanism of collagen proline hydroxylation. Biochimica Et Biophysica Acta. 304: 466-72. PMID 4351077 DOI: 10.1016/0304-4165(73)90266-3 |
0.474 |
|
| 1973 |
Zahradník R, Čársky P, Slanina Z. Conjugated radicals. XVIII. Photoelectron spectroscopy as a source of electronic spectral data for radical cations Collection of Czechoslovak Chemical Communications. 38: 1886-1898. DOI: 10.1135/Cccc19731886 |
0.313 |
|
| 1973 |
Nykl I, Rejholec V, Hobza P, Čársky P, Zahradník R, Hafner K. Conjugated radicals. XVII. Electronic 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 Collection of Czechoslovak Chemical Communications. 38: 1463-1465. DOI: 10.1135/Cccc19731463 |
0.416 |
|
| 1973 |
Zahradník R, Banister AJ, Clarke HG. Electronic spectrum of the pentathiazyl cation Collection of Czechoslovak Chemical Communications. 38: 998-1002. DOI: 10.1135/Cccc19730998 |
0.302 |
|
| 1973 |
Hobza P, Čársky P, Zahradník R. Conjugated radicals. XVI. Electronic spectra of ortho-semiquinones and remark on the applicability of the LCI-CNDO method to quinones and semiquinones Collection of Czechoslovak Chemical Communications. 38: 641-644. DOI: 10.1135/Cccc19730641 |
0.432 |
|
| 1973 |
Čársky P, Zahradník R. MO approach to electronic spectra of radicals Cheminform. 5: 1-55. DOI: 10.1007/3-540-06400-1_1 |
0.31 |
|
| 1973 |
Zahradník R, Čársky P. CNDO treatments on electronic spectra of small molecules Collection of Czechoslovak Chemical Communications. 38: 1876-1885. DOI: 10.1002/Chin.197338062 |
0.308 |
|
| 1973 |
NYKL I, REJHOLEC V, HOBZA P, CARSKY P, ZAHRADNIK R, HAFNER K. ChemInform Abstract: 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 Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/Chin.197333052 |
0.397 |
|
| 1973 |
Nykl I, Fojtík A, Hobza P, Čársky P, Zahradník R, Shida T. Electronic spectra of azulene mononegative and monopositive ions and semiempirical open shell PPP-like calculations Collection of Czechoslovak Chemical Communications. 38: 1459-1462. DOI: 10.1002/Chin.197333051 |
0.491 |
|
| 1973 |
NYKL I, FOJTIK A, HOBZA P, CARSKY P, ZAHRADNIK R, SHIDA T. ChemInform Abstract: ELECTRONIC SPECTRA OF AZULENE MONONEGATIVE AND MONOPOSITIVE IONS AND SEMIEMPIRICAL OPEN SHELL PPP-LIKE CALCULATIONS Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/chin.197333051 |
0.425 |
|
| 1973 |
HOBZA P, CARSKY P, ZAHRADNIK R. ChemInform Abstract: KONJUGIERTE RADIKALE 16. MITT. ELEKTRONENSPEKTREN VON ORTHO-SEMICHINONEN UND BEMERKUNG UEBER DIE ANWENDBARKEIT DER LCI-CNDO-METHODE AUF CHINONE UND SEMICHINONE Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/Chin.197321070 |
0.356 |
|
| 1972 |
Zahradník R, Rejholec V, Hobza P, Čársky P, Hafner K. Conjugated radicals. XIV. Electronic spectra and semiempirical calculations on radical anions of acenaphthylene, fluoranthene and aceheptylene Collection of Czechoslovak Chemical Communications. 37: 1983-1989. DOI: 10.1135/Cccc19721983 |
0.514 |
|
| 1972 |
Rejholec V, Pancíř J, Čársky P, Zahradník R. Electronic spectra and semiempirical calculations on dinegative ions of acenaphthylene, fluoranthene and aceheptylene Collection of Czechoslovak Chemical Communications. 37: 1978-1982. DOI: 10.1135/Cccc19721978 |
0.319 |
|
| 1972 |
ZAHRADNIK R, REJHOLEC V, HOBZA P, CARSKY P, HAFNER K. ChemInform Abstract: KONJUGIERTE RADIKALE 14. MITT. ELEKTRONENSPEKTREN UND HALBEMPIRISCHE BERECHNUNGEN VON ACENAPHTHYLEN-, FLUORANTHEN- UND 2,4-DIMETHYL-ACEHEPTYLEN-RADIKALANIONEN Chemischer Informationsdienst. 3. DOI: 10.1002/Chin.197236076 |
0.356 |
|
| 1971 |
Zahradník R, Hobza P, Hurych J. Molecular-orbital study of hydroxylation of collagenous proline and lysine. Biochimica Et Biophysica Acta. 251: 314-9. PMID 11452871 DOI: 10.1016/0005-2795(71)90117-6 |
0.469 |
|
| 1971 |
Čársky P, Hobza P, Zahradník R. Conjugated radicals. XI. para-Semiquinones Collection of Czechoslovak Chemical Communications. 36: 1291-1300. DOI: 10.1135/Cccc19711291 |
0.378 |
|
| 1971 |
Zahradnik R, Huenig S, Scheutzow D, Carsky P. 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 The Journal of Physical Chemistry. 75: 335-339. DOI: 10.1021/J100673A007 |
0.377 |
|
| 1971 |
CARSKY P, HOBZA P, ZAHRADNIK R. ChemInform Abstract: KONJUGIERTE RADIKALE 11. MITT. P-SEMICHINONE Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197127141 |
0.311 |
|
| 1970 |
Kyseľ O, Zahradník R, Belluš D, Sticzay T. Electronic spectra of the benzophenone derivatives. Protonated and ionized forms Collection of Czechoslovak Chemical Communications. 35: 3191-3209. DOI: 10.1135/Cccc19703191 |
0.328 |
|
| 1970 |
Kyseľ O, Zahradník R. Electronic spectra of the benzophenone derivatives; Neutral forms Collection of Czechoslovak Chemical Communications. 35: 3030-3044. DOI: 10.1135/Cccc19703030 |
0.324 |
|
| 1970 |
Čársky P, Zahradník R. Conjugated radicals. V. Semiempirical calculations on the electronic spectra of perylene, α,ω-diphenylpolyene and polyphenyl anion radical Collection of Czechoslovak Chemical Communications. 35: 892-898. DOI: 10.1135/Cccc19700892 |
0.335 |
|
| 1970 |
Carsky P, Zahradnik R. Conjugated radicals. III. Calculations of electronic spectra of alternant odd radicals of the allyl, benzyl, and phenalenyl types The Journal of Physical Chemistry. 74: 1249-1254. DOI: 10.1021/J100701A015 |
0.348 |
|
| 1970 |
Zahradnik R, Carsky P. Conjugated radicals. II. Semiempirical calculations of electronic spectra of radical anions derived from alternant hydrocarbons The Journal of Physical Chemistry. 74: 1240-1248. DOI: 10.1021/J100701A014 |
0.354 |
|
| 1970 |
Zahradnik R, Carsky P. Conjugated radicals. I. Introductory remarks and method of calculation The Journal of Physical Chemistry. 74: 1235-1239. DOI: 10.1021/J100701A013 |
0.316 |
|
| 1969 |
Zahradník R, Pancíř J, Kröhn A. 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 Collection of Czechoslovak Chemical Communications. 34: 2831-2832. DOI: 10.1135/Cccc19692831 |
0.337 |
|
| 1969 |
Zahradník R, Kröhn A, Pancíř J, Šnobl J. Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XVIII. Electronic spectra of arylmethyl cations Collection of Czechoslovak Chemical Communications. 34: 2553-2567. DOI: 10.1135/Cccc19692553 |
0.324 |
|
| 1969 |
Tichy M, Zahradnik R. Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XVII. Electronic spectra of amino and hydroxy derivatives of benzenoid hydrocarbons The Journal of Physical Chemistry. 73: 534-544. DOI: 10.1021/J100723A011 |
0.324 |
|
| 1969 |
Čársky P, Hünig S, Scheutzow D, Zahradník R. Conjugated radicals Tetrahedron. 25: 4781-4796. DOI: 10.1016/S0040-4020(01)83018-0 |
0.31 |
|
| 1968 |
Fabian J, Mehlhorn A, Zahradnik R. Semiempirical calculations on sulfur-containing heterocycles The Journal of Physical Chemistry. 72: 3975-3985. DOI: 10.1021/J100858A007 |
0.314 |
|
| 1968 |
Zahradník R, Tichý M, Reid D. Physical properties and chemical reactivity of alternant hydrocarbons and related compounds—XIV Tetrahedron. 24: 3001-3009. DOI: 10.1016/S0040-4020(01)98708-3 |
0.301 |
|
| 1966 |
Michl J, Zahradník R. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XV. An HMO study of the amino, nitro, and aza derivatives of fluoranthene Collection of Czechoslovak Chemical Communications. 31: 3478-3485. DOI: 10.1135/Cccc19663478 |
0.463 |
|
| 1966 |
Michl J, Boček K, Zahradník R. 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 Collection of Czechoslovak Chemical Communications. 31: 3471-3477. DOI: 10.1135/Cccc19663471 |
0.449 |
|
| 1966 |
Michl J, Zahradník R, Simon W. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XIII. Relative conjugative power of the isomeric fluoranthyls towards the amino group. Basicity Collection of Czechoslovak Chemical Communications. 31: 3464-3470. DOI: 10.1135/Cccc19663464 |
0.446 |
|
| 1966 |
Michl J, Zahradník R. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XII. Chemical reactivity indices of fluoranthene and the benzofluoranthenes Collection of Czechoslovak Chemical Communications. 31: 3453-3463. DOI: 10.1135/Cccc19663453 |
0.48 |
|
| 1966 |
Zahradník R, Michl J. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XI. HMO energy characteristics of fluoranthene-like hydrocarbons Collection of Czechoslovak Chemical Communications. 31: 3442-3452. DOI: 10.1135/Cccc19663442 |
0.482 |
|
| 1966 |
Michl J, Zahradník R. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. IX. A note on the electronic spectrum of the dibenzo[a,d]tropylium cation Collection of Czechoslovak Chemical Communications. 31: 2311-2317. DOI: 10.1135/cccc19662311 |
0.384 |
|
| 1966 |
Michl J, Zahradník R. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. VIII. Collection of Czechoslovak Chemical Communications. 31: 2259-2263. DOI: 10.1135/Cccc19662259 |
0.461 |
|
| 1966 |
Michl J, Zahradník R. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. VI. An HMO study of ions of the cyclopentadienyl series Collection of Czechoslovak Chemical Communications. 31: 1475-1482. DOI: 10.1135/Cccc19661475 |
0.458 |
|
| 1966 |
Zahradník R, Nepraš M, Arient J, Koutecký J. Imidazole dyes. XVIII. Electronic spectra and reactivity of imidazole dyes Collection of Czechoslovak Chemical Communications. 31: 1180-1188. DOI: 10.1135/Cccc19661180 |
0.306 |
|
| 1966 |
Zahradník R, Michl J, Kopecký J. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. V. Indacene-like hydrocarbons Collection of Czechoslovak Chemical Communications. 31: 640-648. DOI: 10.1135/Cccc19660640 |
0.456 |
|
| 1966 |
Michl J, Zahradník R, Hochmann P. Electronic Structure of Nonalternant Hydrocarbons, Their Analogs and Derivatives. VII.1Electronic Spectra of Some Benzologs of the Cyclopentadienylium Cation The Journal of Physical Chemistry. 70: 1732-1737. DOI: 10.1021/J100878A008 |
0.471 |
|
| 1966 |
Zahradník R, Párakányi C, Michl J, Horák V. An hmo correlation of the first bands in the electronic spectra of conjugated hydrocarbon ions Tetrahedron. 22: 1341-1354. DOI: 10.1016/S0040-4020(01)99428-1 |
0.353 |
|
| 1966 |
Heilbronner E, Weber JP, Michl J, Zahradník R. The electronic spectra of acenaphthylene and fluoranthene - A comment on the classification of electronic spectra Theoretica Chimica Acta. 6: 141-158. DOI: 10.1007/Bf00526945 |
0.437 |
|
| 1965 |
Zahradník R, Michl J. Tables of quantum chemical data. VII. Molecular orbitals of indacene-like and some peri-condensed tetracyclic hydrocarbons Collection of Czechoslovak Chemical Communications. 30: 3550-3560. DOI: 10.1135/cccc19653550 |
0.36 |
|
| 1965 |
Zahradník R, Michl J. Tables of quantum chemical data. V. Molecular orbitals of peri-condensed tricyclic hydrocarbons Collection of Czechoslovak Chemical Communications. 30: 3529-3536. DOI: 10.1135/cccc19653529 |
0.353 |
|
| 1965 |
Zahradník R, Michl J, Jutz C. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. IV. An HMO study of amino derivatives of fulvenes and vinylogous fulvenes Collection of Czechoslovak Chemical Communications. 30: 3227-3232. DOI: 10.1135/Cccc19653227 |
0.463 |
|
| 1965 |
Zahradník R, Michl J. Tables of quantum chemical data. IV. Molecular orbitals of hydrocarbons of the pentalene, azulene and heptalene series Collection of Czechoslovak Chemical Communications. 30: 3173-3188. DOI: 10.1135/Cccc19653173 |
0.445 |
|
| 1965 |
Zahradník R, Michl J, Pancíř J. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. III. Ions of the polyenylcyclopentadienyl type Collection of Czechoslovak Chemical Communications. 30: 2891-2899. DOI: 10.1135/Cccc19652891 |
0.448 |
|
| 1965 |
Zahradník R, Michl J. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. II. Odd-numbered polyenes with a five-membered ring at each end Collection of Czechoslovak Chemical Communications. 30: 1060-1072. DOI: 10.1135/Cccc19651060 |
0.446 |
|
| 1965 |
Zahradník R, Michl J. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. I. A theoretical treatment of Reid's hydrocarbons Collection of Czechoslovak Chemical Communications. 30: 520-536. DOI: 10.1135/Cccc19650520 |
0.458 |
|
| 1965 |
Zahradník R, Michl J. Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. Introductory remarks Collection of Czechoslovak Chemical Communications. 30: 515-519. DOI: 10.1135/Cccc19650515 |
0.463 |
|
| 1965 |
Zahradník R. Electronic Structure and Properties of Non-Alternant Hydrocarbons Angewandte Chemie International Edition in English. 4: 1039-1050. DOI: 10.1002/Anie.196510391 |
0.335 |
|
| 1964 |
Zahradník R, Michl J, Koutecký J. Tables of quantum chemical data. III. Molecular orbitals of some fluoranthene-like hydrocarbons, cyclopentadienyl, and some of its benzo and naphtho derivatives Collection of Czechoslovak Chemical Communications. 29: 3184-3210. DOI: 10.1135/Cccc19643184 |
0.451 |
|
| 1964 |
Zahradník R, Michl J, Koutecký J. Tables of quantum chemical data. II. Energy characteristics of some non-alternant hydrocarbons Collection of Czechoslovak Chemical Communications. 29: 1932-1944. DOI: 10.1135/Cccc19641932 |
0.441 |
|
| 1963 |
Zahradník R, Párkányi C, Horák V, Koutecký J. An experimental and theoretical study of the reactivity and spectral properties of sulphur heterocycles derived from alternant hydrocarbons Collection of Czechoslovak Chemical Communications. 28: 776-798. DOI: 10.1135/Cccc19630776 |
0.301 |
|
| 1962 |
Hochman P, Koutecký J, Zahradník R. Tables of quantum chemical data. I. Molecular orbitals of some benzenoid hydrocarbons and benzo derivatives of fluoranthene Collection of Czechoslovak Chemical Communications. 27: 3053-3075. DOI: 10.1135/Cccc19623053 |
0.301 |
|
| 1962 |
Zahradník R, Vlachová D, Koutecký J. Electronic spectra and MO-LCAO study of aromatic isothiocyanates Collection of Czechoslovak Chemical Communications. 27: 2336-2348. DOI: 10.1135/Cccc19622336 |
0.32 |
|
| 1960 |
Koutecký J, Zahradník R. Calculation of molecular orbital energies of macromolecules with conjugated double bonds Collection of Czechoslovak Chemical Communications. 25: 811-819. DOI: 10.1135/Cccc19600811 |
0.344 |
|
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