Pregled po projektu: Broenstedove i Lewisove kiseline i baze u kemiji i biokemiji (MB: MZOS-098-0982933-2932)
Pronađeno 112 radova
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51.Peran, NenaAcidity and Basicity of alpha-Amino Acids by the COSMO, COSMO-RS and Modified Cluster-Continuum Methods. Part 1. Glycine, Alanine and Proline // Ljetna škola znanstvene komunikacije
Split, 2010. (predavanje, međunarodna recenzija, pp prezentacija, znanstveni) -
52.Peran, Nena; Maksić, ZvonimirCalculation of the Histidine pK_a Values in Water Using COSMO, COSMO-RS and Modified Cluster Continuum Models // Book of abstracts of The 26^th Winter School in Theoretical Chemistry / Sundholm, Dage (ur.).
Helsinki, 2010. (poster, međunarodna recenzija, sažetak, znanstveni) -
53.The 5th Central European Conference - Chemistry towards Biology / Abramić, Marija ; Maksić, Zvonimir ; Salopek-Sondi, Branka ; Tomić, Sanja ; Robert Vianello (ur.). Zagreb: Institut Ruđer Bošković, 2010 (zbornik)
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54.Vianello, Robert"One group to rule them all" - Polycyano organic compounds are record holding superacids // XVth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV)
Cambridge, 2010. (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) -
55.Peran, Nena; Maksić, Zvonimir B.Calculation of the Asparagine pK_a Values in Water Using COSMO, COSMO-RS and Modified Cluster-Continumm Models // Book of Abstracts of The 5^th Central European Conference - Chemistry towards Biology / Abramić, Marija ; Maksić, Zvonimir ; Salopek-Sondi, Branka ; Tomić, Sanja ; Vianellol, Robert (ur.).
Zagreb: Institut Ruđer Bošković, 2010. (poster, međunarodna recenzija, sažetak, znanstveni) -
56.Despotović, Ines; Maksić, Zvonimir B.Protonation of some Supramolecular Compounds Based on Pyridine Subunits // The 5th Central European Conference - Chemistry towards Biology / Abramić, Marija ; Maksić, Zvonimir ; Salopek-Sondi, Branka ; Tomić, Sanja ; Vianello, Robert (ur.).
Zagreb: Institut Ruđer Bošković, 2010. (poster, sažetak, znanstveni) -
57.Vianello, Robert; Maksić, ZvonimirPolycyano Derivatives of some Organic Tri- and Hexacyclic Molecules are Powerful Super- and Hyperacids in the Gas-Phase and DMSO - Computational Study by DFT Approach // Journal of organic chemistry, 75 (2010), 22; 7670-7681 doi:10.1021/jo101581a (međunarodna recenzija, članak, znanstveni)
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58.Eckert-Maksić, Mirjana; Maksić, Zvonimir B.,Multireference AQCC study of Hoffman-Bošković bond-stretch isomerization reactions // Fifteenth International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV) Conference Programme and Abstracts / Elliott, Stephen (ur.).
Cambridge: Magdalene College University of Cambridge, 2010. str. 91-91 (poster, međunarodna recenzija, sažetak, znanstveni) -
59.Despotović, Ines; Maksić, ZvonimirMetal Cation Complexation by Supramolecular Structures Based on Pyridine Subunits // The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences / Babić, Darko ; Došlić, Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristijan (ur.).
Zagreb, 2009. (poster, sažetak, znanstveni) -
60.Vianello, Robert; Maksić, ZvonimirWhat a difference a CN makes! Polycyano compounds are record holding superacids // Book of Abstracts of The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences / Babić, Darko ; Došlić Nađa ; Smith, David ; Tomić, Sanja ; Vlahoviček, Kristian (ur.).
Zagreb: Institute of Computational Life Sciences (ICLS), 2009. str. 79-79 (poster, međunarodna recenzija, sažetak, znanstveni) -
61.Peran, Nena; Maksić ZvonimirCalculations of the pK_a Values in Water of Some Aminocarboxylic Acids Using COSMO and Modified Cluster-Continuum Model // Book of Abstracts of The 3^rd Adriatic Meeting on Computational Solutions in the Life Sciences / Babić, Darko ; Došlić Nađa ; Smith David ; Tomić Sanja ; Vlahoviček, Kristijan (ur.).
Zagreb: Institute of Computational Life Sciences (ICLS), 2009. (poster, međunarodna recenzija, sažetak, znanstveni) -
62.Coles, Martyn P.; Aragon-Saez, Pedro J.; Oakley, Sarah H.; Hitchcock, Peter B.; Davidson, Matthew G.; Maksić, Zvonimir; Vianello, Robert; Leito, Ivo; Kaljurand, Ivari; Apperley, David C.Superbasicity of a Bis-guanidino Compound with a Flexible Linker : A Theoretical and Experimental Study // Journal of the American Chemical Society, 131 (2009), 46; 16858-16868 doi:10.1021/ja906618g (međunarodna recenzija, članak, znanstveni)
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63.Vianello, RobertRačunalom do novih superkiselina // Festival znanosti 2009
Rijeka, Hrvatska, 2009. (pozvano predavanje, neobjavljeni rad, stručni) -
64.Vianello, RobertComputational Prediction of New Extremely Acidic Superacids Awaiting Experimental Synthesis // XXI. Hrvatski skup kemičara i kemijskih inženjera / Novak, Predrag (ur.).
Trogir: Petrokemija d.d., Kutina, 2009. str. 46-46 (pozvano predavanje, domaća recenzija, sažetak, znanstveni) -
65.Eckert-Maksić, Mirjana; Lischka, Hans; Maksić, Zvonimir B.; Vazdar, MarioThe Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study // Journal of Physical Chemistry A, 113 (2009), 29; 8351-8358 doi:10.1021/jp9015273 (međunarodna recenzija, članak, znanstveni)
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66.Vianello, RobertAcidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic Values // Croatica Chemica Acta, 82 (2009), 1; 27-39 (međunarodna recenzija, članak, znanstveni)
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67.Vianello, Robert; Maksić, ZvonimirThe engineering of powerful non-ionic superacids in silico - a DFT-B3LYP study of open chain polycyanopolyenes // New Journal of Chemistry, 33 (2009), 4; 739-748 doi:10.1039/b816922e (međunarodna recenzija, članak, znanstveni)
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68.Maksić, ZvonimirComment on "Restricted Geometry Optimization: A Different Way to Estimate Stabilization Energies for Aromatic Molecules of Various Types" // Journal of Physical Chemistry A, 113 (2009), 4; 788-789 doi:10.1021/jp808030d (međunarodna recenzija, članak, znanstveni)
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69.Maksić, ZvonimirDvadeseta godišnjica Cavtatske deklaracije // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 58 (2009), 2; 82-84 (podatak o recenziji nije dostupan, članak, stručni)
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70.Glasovac, Zoran; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.Basicity of organic bases and superbases in acetonitrile by the polarized continuum model and DFT calculations // New journal of chemistry, 33 (2009), 3; 588-597 doi:10.1039/b814812k (međunarodna recenzija, članak, znanstveni)
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71.Maksić, ZvonimirFrom Concepts to Computations and Back : Design of Strong Organic Superacids and Superbases // Twenty second annual Charles A. Coulson lecture : Abstracts / Athens ; Georgia (ur.).
Athens (GA), 2008. (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) -
72.Vianello, RobertExtremely acidic neutral organic superacids - computationally predicted molecules awaiting experimental synthesis // Workshop on new materials in industry & medicine
Zagreb, 2008. (predavanje, međunarodna recenzija, sažetak, znanstveni) -
73.Maksić, Zvonimir; Peran, Nena; Vianello, RobertAcidity and Basicity of 20+2 alpha-Amino Acids in Vacuo and Water Solutions // 19^th IUPAC Conference on Physical Organic Chemistry
Santiago de Compostela, 2008. (predavanje, međunarodna recenzija, sažetak, znanstveni) -
74.Maksić, ZvonimirAcidity and Basicity in Solutions - a Selection of the Best Model and Implication for Grid Applications // COST D37 Meeting
Barcelona, 2008. (predavanje, međunarodna recenzija, sažetak, znanstveni) -
75.Maksić, ZvonimirDesign of Organic Superacids and Superbases "Ex Machina" - An Interplay Between Conceptual and Computational Chemistry // 7th European Conference on Computational Chemistry
Venecija, 2008. (ostalo, međunarodna recenzija, sažetak, znanstveni)
