| Year |
Citation |
Score |
| 2025 |
Šebesta F, Nguen MTH, Munzarová M, Burda JV. pH control of the reaction mechanism: interactions of the Au(I)-NHC complex with thioredoxin reductase (modeled by cysteine and selenocysteine); and DFT calculations. Physical Chemistry Chemical Physics : Pccp. 27: 6604-6615. PMID 40079851 DOI: 10.1039/d4cp04386c |
0.788 |
|
| 2024 |
Šebesta F, Sovová Ž, Burda JV. Determination of Amino Acids' p: Importance of Cavity Scaling within Implicit Solvation Models and Choice of DFT Functionals. The Journal of Physical Chemistry. B. 128: 1627-1637. PMID 38345944 DOI: 10.1021/acs.jpcb.3c07007 |
0.775 |
|
| 2020 |
Šebesta F, Šebera J, Sychrovský V, Tanaka Y, Burda JV. QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH. Journal of Computational Chemistry. PMID 32208552 DOI: 10.1002/Jcc.26194 |
0.784 |
|
| 2019 |
Kastner A, Poetsch I, Mayr J, Burda JV, Roller A, Heffeter P, Keppler BK, Kowol CR. A Dogma in Doubt: Hydrolysis of Equatorial Ligands of Pt Complexes under Physiological Conditions. Angewandte Chemie (International Ed. in English). 58: 7464-7469. PMID 30870571 DOI: 10.1002/Anie.201900682 |
0.403 |
|
| 2019 |
Chval Z, Dvořáčková O, Chvalová D, Burda JV. Square-Planar Pt(II) and Ir(I) Complexes as the Lewis Bases: Donor-Acceptor Adducts with Group 13 Trihalides and Trihydrides. Inorganic Chemistry. 58: 3616-3626. PMID 30816711 DOI: 10.1021/Acs.Inorgchem.8B02765 |
0.477 |
|
| 2018 |
Špačková N, Trošanová Z, Šebesta F, Jansen S, Burda JV, Srb P, Zachrdla M, Žídek L, Kozelka J. Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants. Physical Chemistry Chemical Physics : Pccp. 20: 12664-12677. PMID 29696277 DOI: 10.1039/C7Cp08623G |
0.769 |
|
| 2018 |
Vokáčová ZS, Turel I, Burda JV. Correction to: Exploration of selected electronic characteristics of half-sandwich organoruthenium(II) β-diketonate complexes. Journal of Molecular Modeling. 24: 110. PMID 29666947 DOI: 10.1007/S00894-018-3648-1 |
0.35 |
|
| 2018 |
Sochorová Vokáčová Z, Turel I, Burda JV. Exploration of selected electronic characteristics of half-sandwich organoruthenium(II) β-diketonate complexes. Journal of Molecular Modeling. 24: 98. PMID 29556743 DOI: 10.1007/S00894-018-3598-7 |
0.435 |
|
| 2018 |
Maixner M, Dos Santos HF, Burda JV. Formation of chelate structure between His-Met dipeptide and diaqua-cisplatin complex; DFT/PCM computational study. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. PMID 29423565 DOI: 10.1007/S00775-018-1536-X |
0.505 |
|
| 2018 |
Šebesta F, Baxová K, Burda JV. Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study. Inorganic Chemistry. 57: 951-962. PMID 29363964 DOI: 10.1021/Acs.Inorgchem.7B01894 |
0.813 |
|
| 2018 |
Šebesta F, Burda JV. Cover Feature: Interactions of Ascorbic Acid with Satraplatin and its trans
Analog JM576: DFT Computational Study (Eur. J. Inorg. Chem. 13/2018) European Journal of Inorganic Chemistry. 2018: 1448-1448. DOI: 10.1002/Ejic.201800341 |
0.76 |
|
| 2018 |
Šebesta F, Burda JV. Interactions of Ascorbic Acid with Satraplatin and its trans
Analog JM576: DFT Computational Study European Journal of Inorganic Chemistry. 2018: 1481-1491. DOI: 10.1002/Ejic.201701334 |
0.761 |
|
| 2017 |
Šebesta F, Brela MZ, Diaz S, Miranda S, Murray JS, Gutiérrez-Oliva S, Toro-Labbé A, Michalak A, Burda JV. The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study. Journal of Computational Chemistry. PMID 28925001 DOI: 10.1002/Jcc.24911 |
0.787 |
|
| 2017 |
Šebesta F, Burda JV. Study on electronic properties, thermodynamic and kinetic parameters of the selected platinum(II) derivatives interacting with guanine. Journal of Inorganic Biochemistry. 172: 100-109. PMID 28448876 DOI: 10.1016/J.Jinorgbio.2017.04.006 |
0.825 |
|
| 2017 |
Šebesta F, Burda JV. Side Reactions with an Equilibrium Constraint: Detailed Mechanism of the Substitution Reaction of Tetraplatin with dGMP as a Starting Step of the Platinum(IV) Reduction Process. The Journal of Physical Chemistry. B. 121: 4400-4413. PMID 28394593 DOI: 10.1021/Acs.Jpcb.7B01427 |
0.808 |
|
| 2016 |
Šebesta F, Sláma V, Melcr J, Futera Z, Burda JV. Estimation of Transition-Metal Empirical Parameters for Molecular Mechanical Force Fields. Journal of Chemical Theory and Computation. 12: 3681-8. PMID 27337427 DOI: 10.1021/Acs.Jctc.6B00416 |
0.793 |
|
| 2016 |
Zábojníková T, Cajzl R, Kljun J, Chval Z, Turel I, Burda JV. Interactions of the "piano-stool" [ruthenium(II)(η(6) -arene)(quinolone)Cl](+) complexes with water; DFT computational study. Journal of Computational Chemistry. PMID 27185047 DOI: 10.1002/Jcc.24373 |
0.517 |
|
| 2016 |
Šebesta F, Burda JV. Reduction Process of Tetraplatin in the Presence of Deoxyguanosine Monophosphate (dGMP): A Computational DFT Study. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 1037-47. PMID 26663432 DOI: 10.1002/Chem.201503555 |
0.814 |
|
| 2014 |
Futera Z, Sodeyama K, Burda JV, Einaga Y, Tateyama Y. A double-QM/MM method for investigating donor-acceptor electron-transfer reactions in solution. Physical Chemistry Chemical Physics : Pccp. 16: 19530-9. PMID 25103398 DOI: 10.1039/C4Cp02307B |
0.762 |
|
| 2014 |
Futera Z, Burda JV. Reaction mechanism of Ru(II) piano-stool complexes: umbrella sampling QM/MM MD study. Journal of Computational Chemistry. 35: 1446-56. PMID 24865949 DOI: 10.1002/Jcc.23639 |
0.736 |
|
| 2014 |
Yamaguchi H, Sebera J, Kondo J, Oda S, Komuro T, Kawamura T, Dairaku T, Kondo Y, Okamoto I, Ono A, Burda JV, Kojima C, Sychrovský V, Tanaka Y. The structure of metallo-DNA with consecutive thymine-HgII-thymine base pairs explains positive entropy for the metallo base pair formation. Nucleic Acids Research. 42: 4094-9. PMID 24371287 DOI: 10.1093/Nar/Gkt1344 |
0.325 |
|
| 2014 |
Tokarský J, Maixner M, Peikertová P, Kulhánková L, Burda JV. The IR and Raman spectra of polyaniline adsorbed on the glass surface; comparison of experimental, empirical force field, and quantum chemical results European Polymer Journal. 57: 47-57. DOI: 10.1016/J.Eurpolymj.2014.04.023 |
0.32 |
|
| 2014 |
Formánek M, Burda JV. The influence of arene-ring size on stacking interaction with canonical base pairs Chemical Physics Letters. 598: 28-34. DOI: 10.1016/J.Cplett.2014.02.046 |
0.428 |
|
| 2013 |
Burda JV, Futera Z, Chval Z. Exploration of various electronic properties along the reaction coordinate for hydration of Pt(II) and Ru(II) complexes; the CCSD, MPx, and DFT computational study. Journal of Molecular Modeling. 19: 5245-55. PMID 24126826 DOI: 10.1007/S00894-013-1994-6 |
0.753 |
|
| 2013 |
Labuta J, Ishihara S, Šikorský T, Futera Z, Shundo A, Hanyková L, Burda JV, Ariga K, Hill JP. NMR spectroscopic detection of chirality and enantiopurity in referenced systems without formation of diastereomers. Nature Communications. 4: 2188. PMID 23864041 DOI: 10.1038/Ncomms3188 |
0.678 |
|
| 2013 |
Šebera J, Burda J, Straka M, Ono A, Kojima C, Tanaka Y, Sychrovský V. Formation of a thymine-Hg(II)-thymine metal-mediated DNA base pair: proposal and theoretical calculation of the reaction pathway. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 9884-94. PMID 23766024 DOI: 10.1002/Chem.201300460 |
0.401 |
|
| 2013 |
Chval Z, Kabeláč M, Burda JV. Mechanism of the cis-[Pt(1R,2R-DACH)(H2O)2]2+ intrastrand binding to the double-stranded (pGpG)·(CpC) dinucleotide in aqueous solution: a computational DFT study. Inorganic Chemistry. 52: 5801-13. PMID 23656523 DOI: 10.1021/Ic302654S |
0.45 |
|
| 2013 |
Bradáč O, Zimmermann T, Burda JV. Can Satraplatin be hydrated before the reduction process occurs? The DFT computational study. Journal of Molecular Modeling. 19: 4669-80. PMID 22643969 DOI: 10.1007/S00894-012-1442-Z |
0.756 |
|
| 2012 |
Dos Santos HF, Paschoal D, Burda JV. Exploring the potential energy surface for the interaction of sterically hindered trichloro(diethylenetriamine)gold(III) complexes with water. The Journal of Physical Chemistry. A. 116: 11015-24. PMID 23106743 DOI: 10.1021/Jp307977P |
0.477 |
|
| 2012 |
Futera Z, Platts JA, Burda JV. Binding of piano-stool Ru(II) complexes to DNA; QM/MM study Journal of Computational Chemistry. 33: 2092-2101. PMID 22707416 DOI: 10.1002/Jcc.23045 |
0.742 |
|
| 2012 |
Michera L, Nekadová M, Burda JV. Reactions of cisplatin and glycine in solution with constant pH: a computational study. Physical Chemistry Chemical Physics : Pccp. 14: 12571-9. PMID 22699281 DOI: 10.1039/C2Cp41016H |
0.447 |
|
| 2012 |
Ishihara S, Labuta J, Šikorský T, Burda JV, Okamoto N, Abe H, Ariga K, Hill JP. Colorimetric detection of trace water in tetrahydrofuran using N,N'-substituted oxoporphyrinogens. Chemical Communications (Cambridge, England). 48: 3933-5. PMID 22422278 DOI: 10.1039/C2Cc31118F |
0.307 |
|
| 2012 |
Tokarský J, Capková P, Burda JV. Structure and stability of kaolinite/TiO2 nanocomposite: DFT and MM computations. Journal of Molecular Modeling. 18: 2689-98. PMID 22102209 DOI: 10.1007/S00894-011-1278-Y |
0.303 |
|
| 2012 |
Dos Santos HF, Paschoal D, Burda JV. Exploring the potential energy surface for interaction of a trichloro(diethylenetriamine)gold(III) complex with strong nucleophiles Chemical Physics Letters. 548: 64-70. DOI: 10.1016/J.Cplett.2012.07.080 |
0.338 |
|
| 2012 |
Alster J, Kabeláč M, Tuma R, Pšenčík J, Burda J. Computational study of short-range interactions in bacteriochlorophyll aggregates Computational and Theoretical Chemistry. 998: 87-97. DOI: 10.1016/J.Comptc.2012.07.001 |
0.397 |
|
| 2011 |
Zimmermann T, Leszczynski J, Burda JV. Activation of the cisplatin and transplatin complexes in solution with constant pH and concentration of chloride anions; quantum chemical study. Journal of Molecular Modeling. 17: 2385-93. PMID 21523556 DOI: 10.1007/S00894-011-1031-6 |
0.723 |
|
| 2011 |
Chval Z, Futera Z, Burda JV. Comparison of hydration reactions for "piano-stool" RAPTA-B and [Ru(η6-arene)(en)Cl]+ complexes: density functional theory computational study. The Journal of Chemical Physics. 134: 024520. PMID 21241133 DOI: 10.1063/1.3515534 |
0.783 |
|
| 2011 |
Futera Z, Koval T, Leszczynski J, Gu J, Mitoraj M, Srebro M, Burda JV. Exploring a reaction mechanism for acetato ligand replacement in paddlewheel tetrakisacetatodirhodium (II,II) complex by ammonia: computational density functional theory study. The Journal of Physical Chemistry. A. 115: 784-94. PMID 21229993 DOI: 10.1021/Jp104726S |
0.781 |
|
| 2010 |
Zimmermann T, Burda JV. Cisplatin interaction with amino acids cysteine and methionine from gas phase to solutions with constant pH. Interdisciplinary Sciences, Computational Life Sciences. 2: 98-114. PMID 20640800 DOI: 10.1007/S12539-010-0094-X |
0.748 |
|
| 2010 |
Zimmermann T, Burda JV. Reactions of cisplatin with cysteine and methionine at constant pH; a computational study. Dalton Transactions (Cambridge, England : 2003). 39: 1295-301. PMID 20104356 DOI: 10.1039/B913803J |
0.771 |
|
| 2009 |
Zimmermann T, Burda JV. Charge-scaled cavities in polarizable continuum model: determination of acid dissociation constants for platinum-amino acid complexes. The Journal of Chemical Physics. 131: 135101. PMID 19814573 DOI: 10.1063/1.3236842 |
0.751 |
|
| 2009 |
Burda JV, Murray JS, Toro-Labbé A, Gutiérrez-Oliva S, Politzer P. Reaction force analysis of solvent effects in the addition of HCl to propene. The Journal of Physical Chemistry. A. 113: 6500-3. PMID 19378983 DOI: 10.1021/Jp9025927 |
0.381 |
|
| 2009 |
Zimmermann T, Chval Z, Burda JV. Cisplatin interaction with cysteine and methionine in aqueous solution: computational DFT/PCM study. The Journal of Physical Chemistry. B. 113: 3139-50. PMID 19227999 DOI: 10.1021/Jp807645X |
0.778 |
|
| 2009 |
Futera Z, Klenko J, Sponer JE, Sponer J, Burda JV. Interactions of the "piano-stool" [ruthenium(II) (eta6-arene)(en)CL]+ complexes with water and nucleobases; ab initio and DFT study. Journal of Computational Chemistry. 30: 1758-70. PMID 19090568 DOI: 10.1002/Jcc.21179 |
0.771 |
|
| 2008 |
Burda JV, Sokalski AW, Leszczynski J. International workshop on "Modeling Interaction in Biomolecules III", held in Prague September 8th-13th, 2007. Journal of Molecular Modeling. 14: 649. PMID 18563456 DOI: 10.1007/S00894-008-0323-Y |
0.303 |
|
| 2008 |
Chval Z, Sip M, Burda JV. The trans effect in square-planar platinum(II) complexes--a density functional study. Journal of Computational Chemistry. 29: 2370-81. PMID 18442081 DOI: 10.1002/Jcc.20980 |
0.453 |
|
| 2008 |
Bradác O, Zimmermann T, Burda JV. Comparison of the electronic properties, and thermodynamic and kinetic parameters of the aquation of selected platinum(II) derivatives with their anticancer IC50 indexes. Journal of Molecular Modeling. 14: 705-16. PMID 18322710 DOI: 10.1007/S00894-008-0285-0 |
0.743 |
|
| 2008 |
Pavelka M, Shukla MK, Leszczynski J, Burda JV. Theoretical study of hydrated copper(II) interactions with guanine: a computational density functional theory study. The Journal of Physical Chemistry. A. 112: 256-67. PMID 18085753 DOI: 10.1021/Jp074891+ |
0.8 |
|
| 2008 |
Burda JV, Gu J. A computational study on DNA bases interactions with dinuclear tetraacetato-diaqua-dirhodium(II,II) complex. Journal of Inorganic Biochemistry. 102: 53-62. PMID 17698203 DOI: 10.1016/J.Jinorgbio.2007.06.041 |
0.538 |
|
| 2008 |
Pavelka M, Burda JV. Computational study of redox active centres of blue copper proteins: a computational DFT study Molecular Physics. 106: 2733-2748. DOI: 10.1080/00268970802672684 |
0.797 |
|
| 2007 |
Vokácová Z, Burda JV. Computational study on spectral properties of the selected pigments from various photosystems: structure-transition energy relationship. The Journal of Physical Chemistry. A. 111: 5864-78. PMID 17555304 DOI: 10.1021/Jp071639T |
0.347 |
|
| 2007 |
Burda JV, Toro-Labbé A, Gutiérrez-Oliva S, Murray JS, Politzer P. Reaction force decomposition of activation barriers to elucidate solvent effects. The Journal of Physical Chemistry. A. 111: 2455-7. PMID 17388357 DOI: 10.1021/Jp0709353 |
0.362 |
|
| 2007 |
Pavelka M, Burda JV. Pt-bridges in various single-strand and double-helix DNA sequences. DFT and MP2 study of the cisplatin coordination with guanine, adenine, and cytosine. Journal of Molecular Modeling. 13: 367-79. PMID 17024406 DOI: 10.1007/S00894-006-0151-X |
0.823 |
|
| 2006 |
Mrázek J, Burda JV. Can the pH value of water solutions be estimated by quantum chemical calculations of small water clusters? The Journal of Chemical Physics. 125: 194518. PMID 17129134 DOI: 10.1063/1.2363383 |
0.341 |
|
| 2006 |
Allen RN, Shukla MK, Burda JV, Leszczynski J. Theoretical study of interaction of urate with li(+), na(+), k(+), be(2+), mg(2+), and ca(2+) metal cations. The Journal of Physical Chemistry. A. 110: 6139-44. PMID 16671685 DOI: 10.1021/Jp0603379 |
0.429 |
|
| 2006 |
Pavelka M, Simanek M, Sponer J, Burda JV. Copper cation interactions with biologically essential types of ligands: a computational DFT study. The Journal of Physical Chemistry. A. 110: 4795-809. PMID 16599448 DOI: 10.1021/Jp056868Z |
0.808 |
|
| 2006 |
Politzer P, Burda JV, Concha MC, Lane P, Murray JS. Analysis of the reaction force for a gas phase S(N)2 process: CH3Cl + H2O --> CH3OH + HCl. The Journal of Physical Chemistry. A. 110: 756-61. PMID 16405350 DOI: 10.1021/Jp0582080 |
0.34 |
|
| 2005 |
Zimmermann T, Zeizinger M, Burda JV. Cisplatin interaction with cysteine and methionine, a theoretical DFT study. Journal of Inorganic Biochemistry. 99: 2184-96. PMID 16183131 DOI: 10.1016/J.Jinorgbio.2005.07.021 |
0.818 |
|
| 2005 |
Burda JV, Shukla MK, Leszczynski J. Theoretical model of the aqua-copper [Cu(H2O)5]+ cation interactions with guanine. Journal of Molecular Modeling. 11: 362-9. PMID 15928918 DOI: 10.1007/S00894-005-0269-2 |
0.436 |
|
| 2005 |
Burda JV, Zeizinger M, Leszczynski J. Hydration process as an activation of trans- and cisplatin complexes in anticancer treatment. DFT and ab initio computational study of thermodynamic and kinetic parameters. Journal of Computational Chemistry. 26: 907-14. PMID 15841473 DOI: 10.1002/Jcc.20228 |
0.815 |
|
| 2005 |
Seda J, Burda JV, Leszczynski J. Study of electronic spectra of free-base porphin and Mg-porphin: comprehensive comparison of variety of ab initio, DFT, and semiempirical methods. Journal of Computational Chemistry. 26: 294-303. PMID 15622549 DOI: 10.1002/Jcc.20164 |
0.365 |
|
| 2005 |
Pavelka M, Burda JV. Theoretical description of copper Cu(I)/Cu(II) complexes in mixed ammine-aqua environment. DFT and ab initio quantum chemical study Chemical Physics. 312: 193-204. DOI: 10.1016/J.Chemphys.2004.11.034 |
0.816 |
|
| 2004 |
Burda JV, Zeizinger M, Leszczynski J. Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: an ab initio study. The Journal of Chemical Physics. 120: 1253-62. PMID 15268251 DOI: 10.1063/1.1633757 |
0.831 |
|
| 2004 |
Šeda J, Burda J, Brázdová V, Kapsa V. Estimation of Electron Spectra Transitions of Free-Based Porphin and Mg-Porphin Using Various Quantum Chemical Approaches International Journal of Molecular Sciences. 5: 196-213. DOI: 10.3390/I5040196 |
0.365 |
|
| 2004 |
Zeizinger M, Burda JV, Leszczynski J. The influence of a sugar-phosphate backbone on the cisplatin-bridged BpB? models of DNA purine bases. Quantum chemical calculations of Pt(ii) bonding characteristics Physical Chemistry Chemical Physics. 6: 3585. DOI: 10.1039/B317052G |
0.813 |
|
| 2004 |
Burda JV, Pavelka M, Šimánek M. Theoretical model of copper Cu(I)/Cu(II) hydration. DFT and ab initio quantum chemical study Journal of Molecular Structure: Theochem. 683: 183-193. DOI: 10.1016/J.Theochem.2004.06.013 |
0.797 |
|
| 2003 |
Burda JV, Leszczynski J. How strong can the bend be on a DNA helix from cisplatin? DFT and MP2 quantum chemical calculations of cisplatin-bridged DNA purine bases. Inorganic Chemistry. 42: 7162-72. PMID 14577785 DOI: 10.1021/Ic034296W |
0.492 |
|
| 2003 |
Mitrić R, Bürgel C, Burda J, Bonačić-Koutecký V, Fantucci P. Structural properties and reactivity of bimetallic silver-gold clusters European Physical Journal D. 24: 41-44. DOI: 10.1140/Epjd/E2003-00124-7 |
0.57 |
|
| 2002 |
Kopecký V, Mojzes P, Burda JV, Dostál L. Raman spectroscopy study of acid-base and structural properties of 9-[2-(phosphonomethoxy)ethyl]adenine in aqueous solutions. Biopolymers. 67: 285-8. PMID 12012449 DOI: 10.1002/Bip.10111 |
0.304 |
|
| 2002 |
Bonačić-Koutecký V, Burda J, Mitrić R, Ge M, Zampella G, Fantucci P. Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters Journal of Chemical Physics. 117: 3120-3131. DOI: 10.1063/1.1492800 |
0.557 |
|
| 2001 |
Burda JV, Šponer J, Leszczynski J. The influence of square planar platinum complexes on DNA base pairing. An ab initio DFT study Physical Chemistry Chemical Physics. 3: 4404-4411. DOI: 10.1039/B105294M |
0.482 |
|
| 2001 |
Zeizinger M, Burda JV, Šponer J, Kapsa V, Leszczynski J. A Systematic ab Initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues The Journal of Physical Chemistry A. 105: 8086-8092. DOI: 10.1021/Jp010636S |
0.81 |
|
| 2001 |
Burda JV, Lánská B. An ab initio quantum chemical study of reactions of hexano-6-lactam peroxy radicals with phenoxy or diphenyl radicals Polymer Degradation and Stability. 74: 569-577. DOI: 10.1016/S0141-3910(01)00194-X |
0.396 |
|
| 2000 |
Burda JV, Sponer J, Leszczynski J. The interactions of square platinum(II) complexes with guanine and adenine: a quantum-chemical ab initio study of metalated tautomeric forms. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 5: 178-88. PMID 10819463 DOI: 10.1007/S007750050362 |
0.479 |
|
| 2000 |
Burda JV, Zeizinger M, Šponer J, Leszczynski J. Hydration of cis- and trans-platin: A pseudopotential treatment in the frame of a G3-type theory for platinum complexes The Journal of Chemical Physics. 113: 2224-2232. DOI: 10.1063/1.482036 |
0.802 |
|
| 1999 |
Sponer J, Sabat M, Burda JV, Leszczynski J, Hobza P, Lippert B. Metal ions in non-complementary DNA base pairs: an ab initio study of Cu(I), Ag(I), and Au(I) complexes with the cytosine-adenine base pair. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 4: 537-45. PMID 10550682 DOI: 10.1007/S007750050376 |
0.411 |
|
| 1999 |
Sponer J, Burda JV, Leszczynksi J, Hobza P. Interactions of hydrated IIa and IIb group metal cations with thioguanine-cytosine DNA base pair: Ab initio and density functional theory investigation of polarization effects, differences among cations, and flexibility of the cation hydration shell. Journal of Biomolecular Structure & Dynamics. 17: 61-77. PMID 10496422 DOI: 10.1080/07391102.1999.10508341 |
0.463 |
|
| 1999 |
Šponer J, Sabat M, Burda JV, Leszczynski J, Hobza P. Interaction of the Adenine−Thymine Watson−Crick and Adenine−Adenine Reverse-Hoogsteen DNA Base Pairs with Hydrated Group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and IIb (Zn2+, Cd2+, Hg2+) Metal Cations: Absence of the Base Pair Stabilization by Metal-Induced Polarization Effects The Journal of Physical Chemistry B. 103: 2528-2534. DOI: 10.1021/Jp983744W |
0.362 |
|
| 1998 |
Šponer J, Burda JV, Sabat M, Leszczynski J, Hobza P. Interaction between the Guanine−Cytosine Watson−Crick DNA Base Pair and Hydrated Group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and Group IIb (Zn2+, Cd2+, Hg2+) Metal Cations The Journal of Physical Chemistry A. 102: 5951-5957. DOI: 10.1021/Jp980769M |
0.391 |
|
| 1998 |
Burda JV, Runeberg N, Pyykkö P. Chemical bonds between noble metals and noble gases. Chemical Physics Letters. 288: 635-641. DOI: 10.1016/S0009-2614(98)00292-9 |
0.37 |
|
| 1997 |
Burda JV, Šponer J, Leszczynski J, Hobza P. Interaction of DNA Base Pairs with Various Metal Cations (Mg2+, Ca2+, Sr2+, Ba2+, Cu+, Ag+, Au+, Zn2+, Cd2+, and Hg2+): Nonempirical ab Initio Calculations on Structures, Energies, and Nonadditivity of the Interaction The Journal of Physical Chemistry B. 101: 9670-9677. DOI: 10.1021/Jp963753+ |
0.432 |
|
| 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 |
0.383 |
|
| 1996 |
Burda JV, Zahradnik R, Hobza P, Urban M. 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: 10.1080/00268979609482483 |
0.324 |
|
| 1996 |
Burda JV, Šponer J, Hobza P. Ab Initio Study of the Interaction of Guanine and Adenine with Various Mono- and Bivalent Metal Cations (Li+, Na+, K+, Rb+, Cs+; Cu+, Ag+, Au+; Mg2+, Ca2+, Sr2+, Ba2+; Zn2+, Cd2+, and Hg2+) The Journal of Physical Chemistry. 100: 7250-7255. DOI: 10.1021/Jp952941H |
0.374 |
|
| 1992 |
Burda J, Lukáš R. Thermal Dehydrochlorination of Poly(vinyl chloride) in Syndiotactic Systems Collection of Czechoslovak Chemical Communications. 57: 93-106. DOI: 10.1135/Cccc19920093 |
0.355 |
|
| 1992 |
Brát J, Burda J, Zajíc J. Vergleich der Spaltmechanismen bei den Partialestern des Glycerins Fett Wissenschaft Technologie/Fat Science Technology. 94: 594-599. DOI: 10.1002/Lipi.19920941407 |
0.333 |
|
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