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Uredničke knjige
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Poglavlja u knjizi
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1. Maksić, Zvonimir B.; Eckert-Maksić, Mirjana; Mo, Otilia; Yanez, Manuel.
The Mils-Nixon effect: Fallacies, facts and chemical relevance // The Mils-Nixon effect: Fallacies, facts and chemical relevance / Maksić, Zvonimir B. ; Orville-Thomas, W.J. (ur.).
Amsterdam : Elsevier, 1999.
Str. 47-101.
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2. Maksić, Zvonimir B.; Eckert-Maksić, Mirjana.
Intrinsic Proton Affinity of Substituted Aromatics // Intrinsic Proton Affinity of Substituted Aromatics / Politzer, P. ; Maksić, Z.B. (ur.).
Amsterdam : Elsevier, 1998.
Str. 203-235.
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Izvorni znanstveni i pregledni radovi u CC časopisima
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1. Eckert-Maksić, Mirjana; Glasovac, Zoran; Novak-Coumbassa, Nana; Maksić, Zvonimir, B.
The Mills-Nixon effect and chemical reactivity - methyl cation affinity of some cycloalkabenzenes. // Journal of the Chemical Society, Perkin Transaction 2. - (2001) , 7; 1091-1098 (članak, znanstveni).
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2. Kovačević, Borislav; Maksić, Zvonimir B.
Basicity of some Strong Nitrogen Bases in Acetonitrile. // Organic letters. 3 (2001) , 10; 1523-1526 (članak, znanstveni).
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3. Kovačević, Borislav; Maksić, Zvonimir B.; Vianello, Robert.
The Proton Affinity of Some Extended pi-Systems Involving Guanidine and Cyclopropenimine Subunits. // Journal of the Chemical Society. Perkin Transactions 2. - (2001) , -; 886-891 (članak, znanstveni).  
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4. Maksić, Zvonimir B.; Smith, David M.; Barić, Danijela.
The Additivity of the pi-Electron Correlation Energy in Planar Heteroatomic Molecules. // Chemical physics. 269 (2001) , 1/3; 11-28 (članak, znanstveni).
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5. Smith, David M.; Barić, Danijela; Maksić, Zvonimir B.
On the Correlation Energy Features in Planar Heteroatomic Molecular Systems. // Journal of Chemical Physics. 115 (2001) , 8; 3474-3483 (članak, znanstveni).
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6. Kovačević, Borislav; Maksić, Zvonimir B.
Absolute Proton Affinity of Some Polyguanidines. // Journal of organic chemistry. 65 (2000) ; 3303-3309 (članak, znanstveni).
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7. Maksić, Zvonimir B.; Barić, Danijela; Petanjek, Ines.
On the Correlation Energy of pi-Electrons in Planar Hydrocarbons. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 104 (2000) , 46; 10873-10881 (članak, znanstveni).
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8. Maksić, Zvonimir B.; Kovačević, Borislav; Lesar, Antonija.
Protonation of Archetypal Aromatic and Antiaromatic Systems - G2 Studies of Benzene and Cyclobutadiene. // Chemical Physics. 253 (2000) ; 59-71 (članak, znanstveni).
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9. Eckert-Maksić, Mirjana; Antol, Ivana; Klessinger, Martin; Maksić, Zvonimir B.
The Proton Affinity of Some Substituted Naphtalenes. // Journal of physical organic chemistry. 12 (1999) ; 597-604 (članak, znanstveni).
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10. Kovačević, Krešimir.
Hermite polynomials expansions of the erorr function and related F_0(w) integral. // Journal of Chemical Physics. 111 (1999) , 4; 1782-1783 (članak, znanstveni).
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11. Maksić, Zvonimir B.; Barić, Danijela; Kovačević, Borislav.
Absolute proton affinities of biphenyl and its derivatives. // Journal of the Chemical Society. Perkin transactions. II. 5 (1999) ; 1011-1017 (članak, znanstveni).
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12. Maksić, Zvonimir B.; Kovačević, Borislav.
The spatial and electronic structure of highly basic organic molecules: cyclopropeneimines and some related systems. // Journal of physical chemistry A. 103 (1999) , 33; 6678-6684 (članak, znanstveni).
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13. Maksić, Zvonimir B.; Kovačević, Borislav.
Towards the Absolute Proton Affinities of 20 alpha-Amino Acids. // Chemical physics letters. 307 (1999) ; 497-504 (članak, znanstveni).
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14. Maksić, Zvonimir B.; Kovačević, Borislav.
Neutral vs. Zwitterionic Form of Arginine-An Ab Initio Study. // Journal of the Chemical Society. Perkin transactions II. (1999) ; 2623-2629 (članak, znanstveni).
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15. Antol, Ivana; Eckert-Maksić, Mirjana; Margetić, Davor; Maksić, Zvonimir B.; Kowski, Klaus; Rademacher, Paul.
Molecular and electronic structure and gas-phase pyrolitic generation of 7,7'-dioxasesquinorbornenes. // European journal of organic chemistry. - (1998) , 7; 1403-1408 (članak, znanstveni).
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16. Eckert-Maksić, Mirjana; Glasovac, Zoran; Maksić, Zvonimir B.
Molecular and electronic structure of some silacyclopropabenzenes-Reversed Mills-Nixon Effect. // Journal of organometallic chemistry. 571 (1998) , 1; 65-75 (članak, znanstveni).
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17. Eckert-Maksić, Mirjana; Knežević, Andrea; Maksić, Zvonimir B.
Absolute proton affinities of some substituted toluenes: the additivity rule of thumb for ipso attack. // Journal of physical organic chemistry. 11 (1998) , 8-9; 663-669 (članak, znanstveni).
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18. Kovačević, Borislav; Maksić, Zvonimir.
Toward engineering of very strong organic bases: pronounced proton affinity of molecules possessing imino structural and electronic motif. // Chemical physics letters. 288 (1998) , 2-4; 289-292 (članak, znanstveni).
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19. Kovačević, Borislav; Maksić, Zvonimir; Rademacher, Paul.
High basicity of alkylated 2-tetrazenes: an ab initio study. // Chemical physics letters. 293 (1998) , 3-4; 245-250 (članak, znanstveni).
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20. Maksić, Zvonimir B.; Eckert-Maksić, Mirjana; Knežević, Andrea.
Methyl cation affinity vs proton affinity in substituted benzenes: An ab initio study. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 102 (1998) , 17; 2981-2987 (članak, znanstveni).
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21. Maksić, Zvonimir B.; Petanjek, Ines; Eckert-Maksić, Mirjana; Novak, Igor.
Ab initio study of cyclobutadieno-p-benzoquinones: Kekule isomerization or not?. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 102 (1998) , 52; 10710-10714 (članak, znanstveni).
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22. Maksić, Zvonimir; Kovačević, Borislav.
Toward organic superbases: the electronic structure and the absolute proton affinity of quinodiimines and some related compounds. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 102 (1998) , 37; 7324-7328 (članak, znanstveni).
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23. Roomi, M.W.; House, D.; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.; Tsao, C.S.
Growth suppression of malignat leukemia cell line in vitro by ascorbic acid (vitamin C) and its derivatives. // Cancer letters. 122 (1998) , 1-2; 93-99 (članak, znanstveni).
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24. Eckert-Maksić, Mirjana; Hodošček, Milan; Kovaček, Damir; Maksić, Zvonimir, B.; Primorac, Miljenko.
Theoretical model calculations of the absolute proton affinities of benzonitrile, nitroso- and nitrobenzene. // Journal of molecular structure. Theochem. 417 (1997) , -; 131-143 (članak, znanstveni).
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25. Eckert-Maksić, Mirjana; Klessinger, Martin; Antol, Ivana; Maksić, Zvonimir B.
Additivity of proton affinities in disubstituted naphthalenes. // Journal of physical organic chemistry. 10 (1997) , 6; 415-419 (članak, znanstveni).
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26. Kovaček, Damir; Maksić, Zvonimir, B.; Novak, Igor.
Additivity of the Proton Affinity in Aromatics: Fluorinated Naphthalenes. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 101 (1997) , 6; 1147-1154 (članak, znanstveni).
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27. Maksić, Zvonimir B.; Kovačević, Borislav; Kovaček, Damir.
Simple Ab Initio Model for Calculating the Absolute Proton Affinity of Aromatics. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 101 (1997) , 40; 7446-7453 (članak, znanstveni).
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28. Eckert-Maksić, Mirjana; Glasovac, Zoran; Hodošček, Milan; Lesar, Antonija; Maksić, Zvonimir B.
Molecular and electronic structure of 1, 2-disilacyclobutabenzenes - Ab initio molecular orbital and density functional study. // Journal of organometallic chemistry. 524 (1996) , 1-2; 107-114 (članak, znanstveni).
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29. Eckert-Maksić, Mirjana; Glasovac, Zoran; Maksić, Zvonimir B.; Zrinski, Irena.
Electrophilic reactivity in anti-Mills-Nixon systems. // Journal of molecular structure. Theochem. 336 (1996) , 3; 173-183 (članak, znanstveni).
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30. Eckert-Maksić, Mirjana; Klessinger, Martin; Kovaček, Damir; Maksić, Zvonimir B.
Model Calculations on the Electrophilic Reactivity of Fused Aromatics - Influence of the OH Substituent. // Journal of physical organic chemistry. 9 (1996) , 5; 269-278 (članak, znanstveni).
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31. Eckert-Maksić, Mirjana; Klessinger, Martin; Maksić, Zvonimir B.
A theoretical study of the additivity of proton affinities in aromatics: Polysubstituted benzenes. // Chemistry : a European journal. 2 (1996) , 10; 1251-1257 (članak, znanstveni).
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32. Hillebrand, C.; Klessinger, Martin; Eckert-Maksić, Mirjana; Maksić, Zvonimir B.
Theoretical Model Calculations of the Proton Affinities of Aminoalkanes, Aniline and Pyridine. // Journal of physical chemistry. 100 (1996) , 23; 9698-9702 (članak, znanstveni).
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33. Maksić, Zvonimir B.; Kovaček, Damir; Eckert-Maksić, Mirjana; Zrinski, Irena.
Theoretical Study of Additivity of the Deprotonation Energies in Aromatics. 1. Disubstituted Benzenes. // Journal of organic chemistry. 61 (1996) , 19; 6717-6719 (članak, znanstveni).
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Znanstveni radovi u drugim časopisima
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1. Maksić, Zvonimir B.; Eckert-Maksić, Mirjana; Klessinger, Martin.
Additivity of the Proton Affinity of Polysubstituted Benzenes: The Ipso Position. // Chemical physics letters. 260 (1996) , 5-6; 572-576 (članak, znanstveni).
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2. Maksić, Zvonimir B.; Kovaček, Damir; Kovačević, Borislav.
Further Evidence for Existence of the Mills-Nixon Effect - Ab initio study of the Electrophilic Reactivity in Heteroanalogs of Benzocyclopropene. // Electronic journal of theoretical chemistry. 1 (1996) , 1; 65-78 (članak, znanstveni).
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Sažeci u zbornicima skupova
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1. Barić, Danijela; Maksić, Zvonimir; Smith, David.
The Additivity of the Correlation Energy in Planar Molecules // .
(poster,sažetak,znanstveni).
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2. Kovačević, Borislav; Maksić, Zvonimir.
The Absolute Proton Affinities of 21 alpha-Amino Acids // .
(poster,sažetak,znanstveni).
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3. Kovačević, Borislav; Maksić, Zvonimir; Vianello, Robert.
The Proton Affinity of Some Extended pi-Systems // European Symposium on Organic Reactivity. Programme and Abstracts / Eckert-Maksic, Mirjana ; Glasovac, Zoran ; Zrinski, Irena (ur.).
Zagreb, 2001. (poster,međunarodna recenzija,sažetak,znanstveni).
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4. Maksić, Zvonimir.
Design of Potent Organic Superbases by Ab Initio Quantum Chemistry // --.
(pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).
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5. Maksić, Zvonimir.
Computer Aided Design of Organic Superbases // --.
(pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).
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6. Maksić, Zvonimir.
The Proton Affinity and Electrophilic Reactivity of Organic Molecules // -.
1999. (predavanje,međunarodna recenzija,sažetak,znanstveni).
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7. Maksić, Zvonimir.
Design of Potent Organic Superbases by Ab Initio Quantum Chemistry // -.
1999. (predavanje,međunarodna recenzija,sažetak,znanstveni).
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8. Maksić, Zvonimir.
Some Trends in Molecular Modelling of New Materials: From Fundamental Research to Possible Industrial Application // --.
(pozvano predavanje,sažetak,znanstveni).
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9. Maksić, Zvonimir.
Toward Engineering of Organic Superbases by Quantum Chemistry // --.
(pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).
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10. Maksić, Zvonimir.
Structural Features of Aromatics Fused to Small Ring(s) - The Mills-Nixon Effect is Alive and Well // --.
(pozvano predavanje,međunarodna recenzija,sažetak,znanstveni).
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11. Eckert-Maksić, Mirjana; Glasovac, Zoran; Maksić, Zvonimir B.
On the stability of heterocyclic analogons of benzocyclopropenyl anion // Abstracts of the International Symposium : The Research o Georg Wittig - Relevance to Chemistry Today.
Heidelberg, 1997. (poster,međunarodna recenzija,sažetak,znanstveni).
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12. Eckert-Maksić, Mirjana; Glasovac, Zoran; Maksić, Zvonimir B.
DFT study of the molecular and electronic structure of some silacyclopropabenzenes // Abstracts of the 7th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics.
Beč, 1997. (poster,međunarodna recenzija,sažetak,znanstveni).
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13. Eckert-Maksić, Mirjana; Maksić, Zvonimir B.
Protonation and deprotonation of polysubstituted aromatics: Development of the additivity rule // Abstracts of the 6th Symposium on Organic Reactivity.
1997. (poster,međunarodna recenzija,sažetak,znanstveni).
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14. Eckert-Maksić, Mirjana; Maksić, Zvonimir B.; Glasovac, Zoran; Debeljak, Željko; Medić-Šarić, Marica.
Ab initio study of the oxidation of alpha-hydroxytetronic acid with OH radical // XV. hrvatski skup kemičara i kemijskih inženjera : Sažeci ; sv. 2 / Gojo, Miroslav ; Trajkov, Nada ; Smolec, S. (ur.).
Zagreb : X-press, 1997. 210-210 (poster,domaća recenzija,sažetak,znanstveni).
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15. Maksić, Zvonimir B.; Eckert-Maksić, Mirjana.
Deprotonation of polysubstituted aromatics: Development of the additivity rule // Book of Abstracts of the International Symposium The Research of Georg Wittig : Relevance on Chemistry Today.
Heidelberg, 1997. (poster,međunarodna recenzija,sažetak,znanstveni).
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Neobjavljena sudjelovanja na skupovima
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Disertacije
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Magistarski radovi
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1. Knežević, Andrea.
Protonski i CH_3^+ afiniteti aromatskih molekula / magistarski rad.
Zagreb : Prirodoslovno-matematički fakultet, 15.05. 2000,
44 str. Voditelj: Maksić, Zvonimir.
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2. Kovačević, Borislav.
Dizajniranje organskih superbaza primjenom kvantno-
kemijskih modela / magistarski rad.
Zagreb : Prirodoslovno-matematički fakultet, 23.12. 1999,
61 str. Voditelj: Maksić, Zvonimir.
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3. Petanjek, Ines.
Struktura i reaktivnost nekih planarnih molekula s alternantnim aromatskim i antiaromatskim fragmentima / magistarski rad.
Zagreb : Prirodoslovno-matematički fakultet, 18.12. 1996,
122 str. Voditelj: Maksić, Zvonimir.
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Diplomski radovi
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1. Vianello, Robert.
Protonski afiniteti nekih derivata gvanidina / diplomski rad.
Zagreb : Prirodoslovno-matematički fakultet, 17.11. 2000,
31 str. Voditelj: Maksić, Zvonimir.
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2. Barić, Danijela.
Apsolutni protonski afiniteti supstituiranih bifenila / diplomski rad.
Zagreb : Prirodoslovno-matematički fakultet, 17.09. 1998,
40 str. Voditelj: Maksić, Zvonimir.
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3. Franić, Dean.
Apsolutni protonski afiniteti nekih spiro-spojeva / diplomski rad.
Zagreb : Prirodoslovno-matematički fakultet, 25.05. 1998,
45 str. Voditelj: Maksić, Zvonimir.
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4. Jerković, Juraj.
Aditivnost kiselosti višestruko supstituiranih fenola / diplomski rad.
Zagreb : Prirodoslovno-matematički fakultet, 05.03. 1997,
59 str. Voditelj: Maksić, Zvonimir.
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5. Đakovac, Tamara.
Semiempirijsko računanje konstanti indirektnog sprezanja spinova jezgri 13C-1H u organskim molekulama / diplomski rad.
Zagreb : Prirodoslovno-matematički, 23.07. 1996,
62 str. Voditelj: Maksić, Zvonimir.
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6. Kučina, Sandra.
Apsolutni protonski afiniteti anisola i fluormetil benzena / diplomski rad.
Zagreb : Prirodoslovno-matematički fakultet, 15.03. 1996,
53 str. Voditelj: Maksić, Zvonimir.
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7. Mihalić, Arijana.
Semiempirijsko istraživanje strukture i svojstava 9, 10-dihidropirena sraštenih s malim prstenima / diplomski rad.
Zagreb : Priridoslovno-matematički fakultet, 11.07. 1996,
63 str. Voditelj: Maksić, Zvonimir.
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