Odsek za fizikalno in organsko kemijo (K3)

ČLANKI IN DRUGI SESTAVNI DELI

1.01 Izvirni znanstveni članek

2. H. Horino, I. Rzeźnicka, Anton Kokalj, Ivan Kobal, Y. Ohno, A. Hiratsuka, T. Matsushima, "Two-directional N[sub]2 desorption in thermal dissociation of N[sub]2O on Rh(110), Ir(110), and Pd(110) at low temperatures", J. vac. sci. technol., A, Vac. surf. films, vol. 20, str. 1592-1596, 2002. [COBISS.SI-ID 17112615]

3. Jernej Iskra, Danièle Bonnet-Delpon, Jean-Pierre Bégué, "Methyltrioxorhenium-catalysed epoxidation of alkenes : enhancement of reactivity in hexafluoro-2-propanol", Tetrahedron lett., vol. 43, str. 1001-1003, 2002. [COBISS.SI-ID 16482599]

4. Jernej Iskra, Danièle Bonnet-Delpon, Jena-Pierre Bégué, "Ring-opening of 1-CF[sub]3-substituted epoxy ethers with carboxylic, thiocarboxylic, and phosphinic acids in basic medium and in hexafluoro-2-propanol", European journal of organic chemistry, no. 20, str. 3402-3410, 2002. [COBISS.SI-ID 17190951]

5. Ivan Kobal, Anton Kokalj, Hideyuki Horino, Yuichi Ohno, Tatsuo Matsushima, "Surface-nitrogen removal studied from desorption dynamics", Trends Chem. Phys., vol. 10, str. 139-178, 2002. [COBISS.SI-ID 18140967]

6. Anton Kokalj, A. Dal Corso, S. de Gironcoli, S. Baroni, "The interaction of ethylene with perfect and defective Ag(001) surfaces", J. phys. chem., B Condens. mater. surf. interfaces biophys., vol. 106, str. 9839-9846, 2002. [COBISS.SI-ID 17144359]

7. Anton Kokalj, A. Dal Corso, S. de Gironcoli, S. Baroni, "Adsorption of ethylene on the Ag(001) surface", Surf. sci., vol. 507-510, str. 62-68, 2002. [COBISS.SI-ID 17144103]

8. Anton Kokalj, Ivan Kobal, Hideyuki Horino, Yuichi Ohno, Tatsuo Matsushima, "Orientation of N[sub]2O molecule on Pd(110) surface", Surf. sci., vol. 506, str. 196-202, 2002. [COBISS.SI-ID 16736551]

9. Antonija Lesar, Milan Hodošček, "Transiion state structure and energetics of the N[sub]2O + X(X=Cl,Br) reactions", J. chem. inf. comput. sci., vol. 42, str. 706-711, 2002. [COBISS.SI-ID 16780071]

10. Antonija Lesar, Saša Prebil, Milan Hodošček, "Enthalpy of the gas-phase CO[sub]2 + Mg reaction from ab initio total energies", J. chem. inf. comput. sci., vol. 42, str. 853-857, 2002. [COBISS.SI-ID 16901159]

11. Antonija Lesar, Melanie Schnell, Max Mühlhäuser, Sigrid D. Peyerimhoff, "Ab initio investigation of the photofragmentation of bromomethanol", Chem. Phys. Lett., vol. 366, str. 350-356, 2002. [COBISS.SI-ID 17203495]

12. Ingrid Milošev, "Effect of complexing agents on the electrochemical behaviour of orthopaedic stainless steel in physiological solution", J. Appl. Electrochem., vol. 32, str. 311-320, 2002. [COBISS.SI-ID 16815655]

13. Aleksandra Minović, Ingrid Milošev, Boris Pihlar, "Elektrokemijske raziskave vedenja zlitine Co-Cr-Mo v simulirani fiziološki raztopini : Aleksandra Kocijan, Ingrid Milošev, Boris Pihlar", Mater. tehnol., vol. 9, let. 36, str. 71-75, 2002. [COBISS.SI-ID 16742183]

14. Svetozar Polič, Marjan Senegačnik, Ivan Kobal, M. Zieliński, "Nitrogen-15 kinetic isotope effects in the decomposition of nitric oxide on copper", Pol. j. chem., vol. 76, str. 1009-1018, 2002. [COBISS.SI-ID 16900391]

15. Andreja Popit, Janko Urbanc, Janja Vaupotič, Ivan Kobal, "Radioactivity survey of waters in the Slovenian Karst region", RMZ-mater. geoenviron., vol. 49, št. 4, str. 487-496, 2002. [COBISS.SI-ID 387422]

16. Andreja Popit, Janja Vaupotič, "Indoor radon concentrations in relation to geology in Slovenia", Environ. geol. (Berl.), vol. 42, str. 330-337, 2002. [COBISS.SI-ID 16858663]

17. Andreja Popit, Janja Vaupotič, "The influence of geology on elevated radon concentrations in Slovenian schools and kindergartens", Geologija, 45, 2, str. 499-504, 2002. [COBISS.SI-ID 923221]

18. Stojan Stavber, Marjan Jereb, Marko Zupan, "Selectfluor F-TEDA-BF[sub]4 mediated and solvent directed iodination of aryl alkyl ketones using elemental iodine", Chem. commun. (Lond., 1996), str. 488-489, 2002. [COBISS.SI-ID 16575527]

19. Stojan Stavber, Marjan Jereb, Marko Zupan, "Kinetic investigatins of the reactions of hindered phenols with N-fluoro-1, 4-diazoniabicyclo[2.2.2]octane salt analogues", J. phys. org. chem., vol. 15, str. 56-61, 2002. [COBISS.SI-ID 16352039]

20. Stojan Stavber, Marjan Jereb, Marko Zupan, "Direct [alpha]-fluorination of ketones using N-F reagents", Synthesis (Stuttg.), no. 17, str. 2609-2615, 2002. [COBISS.SI-ID 17166631]

21. Stojan Stavber, Petra Kralj, Marko Zupan, "Selectfluor[sup](TM) F-TEDA-BF[sub]4 mediated introduction of perfluoroalkyl-containing groups in the benzylic position of hexamethylbenzene", Acta chim. slov., vol. 49, 2002. [COBISS.SI-ID 16957991]

22. Stojan Stavber, Petra Kralj, Marko Zupan, "Selective and effective iodination of alkyl-substituted benzenes with elemental iodine activated by Selectfluor F-TEDA-BF[sub]4", Synlett, no. 4, str. 598-600, 2002. [COBISS.SI-ID 16699943]

23. Stojan Stavber, Petra Kralj, Marko Zupan, "Progressive direct iodination of sterically hindered alkyl substituted benzenes", Synthesis (Stuttg.), no. 11, str. 1513-1518, 2002. [COBISS.SI-ID 16913959]

24. Janja Vaupotič, "Do long-term average radon concentrations in schools and kindergartens differ from the average during working hours?", Health phys. (1958), vol. 83, str. 237-242, 2002. [COBISS.SI-ID 16882727]

25. Janja Vaupotič, "Radon exposure at drinking water supply plants in Slovenia", Health phys. (1958), vol. 83, str. 901-906, 2002. [COBISS.SI-ID 17201959]

26. Janja Vaupotič, "Search for radon sources in buildings - kindergartens", J. environ. radioact., vol. 61, str. 365-372, 2002. [COBISS.SI-ID 16765735]

27. Janja Vaupotič, "Identification of sources of high radon levels in Slovenian schools", Radiat. prot. dosim., vol. 102, str. 75-80, 2002. [COBISS.SI-ID 16936231]

28. Janja Vaupotič, Mišo Andjelov, Ivan Kobal, "Relationship between radon concentrations in indoor air and soil gas", Environ. geol. (Berl.), vol. 42, str. 583-587, 2002. [COBISS.SI-ID 17082663]

29. Janja Vaupotič, Ivan Kobal, "Correlation between short-term and long-term radon measurements", Isot. environ. health stud., vol. 38, str. 39-46, 2002. [COBISS.SI-ID 16882471]

30. Janja Vaupotič, Ivan Kobal, "Radon dose estimates assisted by continuous measurements", J. radioanal. nucl. chem., vol. 253, str. 267-274, 2002. [COBISS.SI-ID 16858407]

31. M. Zieliński, A. Zielińska, H. Papiernik-Zielińska, Nives Ogrinc, Ivan Kobal, Marjan Senegačnik, "Carbon isotope fractionation in the thermal decomposition of uranyl formate", Isot. environ. health stud., vol. 38, str. 173-175, 2002. [COBISS.SI-ID 17197351]

32. Boris Zmazek, F. Italiano, Mladen Živčić, Janja Vaupotič, Ivan Kobal, G. Martinelli, "Geochemical monitoring of thermal waters in Slovenia : relationships to seismic activity", Appl. radiat. isotopes, vol. 57, str. 919-930, 2002. [COBISS.SI-ID 17185831]

33. Boris Zmazek, Mladen Živčić, Janja Vaupotič, Milan Bidovec, Marijan Poljak, Ivan Kobal, "Soil radon monitoring in the Krško Basin, Slovenia", Appl. radiat. isotopes, vol. 56, issue 4, str. 649-657, Apr. 2002. [COBISS.SI-ID 863829]

1.06 Objavljeni znanstveni prispevek na konferenci (vabljeno predavanje)

1.08 Objavljeni znanstveni prispevek na konferenci

2. Anton Kokalj, Andrea Dal Corso, Stefano de Gironcoli, Stefano Baroni, "Ethylene adsorption on oxygen-precovered Ag(001) surface", V: Proceeding, 7th International Conference on Nanometer-scale, Science and Technology, NANO 7,[and] 21st European Conference on Surface Science, ECOSS-21, 24-28 June 2002, Malmö, Sweden, [S.l., s.n.], 2002, 2 str. [COBISS.SI-ID 17138727]

3. Anton Kokalj, Ivan Kobal, Tatsuo Matsushima, "Adsorption and dissociation of N[sub]2O on a Pd(110) surface", V: Proceeding, 7th International Conference on Nanometer-scale, Science and Technology, NANO 7,[and] 21st European Conference on Surface Science, ECOSS-21, 24-28 June 2002, Malmö, Sweden, [S.l., s.n.], 2002, 2 str. [COBISS.SI-ID 17139239]

4. Janja Vaupotič, D. Barišić, Ivan Kobal, S. Lulić, "Radon investigations in two high-radon-level schools in Slovenia", V: High levels of natural radiation and radon areas: radiation dose and health effects : proceedings of the 5th International Conference on High Levels of Natural Radiation and Radon Areas neld [sic!] [held] in Munich, Germany on September 4 to 7[000!], 2000. Volume II, Poster pesentations [sic!][presentations], J. Peter, ur., G. Schneider, ur., A. Bayer, ur., Salzgitter, BfS, 2002, str. 189-191. [COBISS.SI-ID 16719655]

1.12 Objavljeni povzetek znanstvenega prispevka na konferenci

2. Petra Kajič, Ingrid Milošev, Boris Pihlar, "Determination of trace concentrations of cobalt in human serum by adsorptive stripping voltammetry", V: Book of abstracts, 4th Mediterranean Basin Conference on Analytical Chemistry (MBCAC IV), Portorož, September 15-20, 2002, Marjan Veber, ur., Ljubljana, Slovensko kemijsko društvo, 2002, str. 137. [COBISS.SI-ID 24431365]

3. Anton Kokalj, A. Dal Corso, S. De Gironcoli, S. Baroni, "Influence of adsorbed oxygen n the adsorption of ethylene on the Ag(001) surface", V: Abstracts : INFMeeting, National Conference on the Physics of Matter, Bari, Fiera del Levante, June 24th-28th, 2002, [S.l.], Instituto nazionale per la Fizica della Materia, str. 209. [COBISS.SI-ID 17351975]

4. Anton Kokalj, A. Dal Corso, S. De Gironcoli, S. Baroni, "Oxygen induced missing-row reconstruction : a comparison between Cu(001) and Ag(001) surfaces", V: Abstracts : INFMeeting, National Conference on the Physics of Matter, Bari, Fiera del Levante, June 24th-28th, 2002, [S.l.], Instituto nazionale per la Fizica della Materia, str. 209. [COBISS.SI-ID 17352231]

5. Antonija Lesar, Saša Kovačič, Milan Hodošček, "Ab initio study of ClONO[sub]2 and ClOONOO isomer formations in the NO[sub]2 + ClO [to] NO[sub]3 + Cl reaction", V: Book of abstracts, 6th World Congress of Theoretically Oriented Chemists, WATOC'02, 4-9 August 2002, Palazzo dei Congressi, Lugano, Switzerland, [S.l.], Università della Svizzera Italiana, 2002. [COBISS.SI-ID 16901671]

6. Ingrid Milošev, Aleksandra Minović, Hans-Henning Strehblow, "Ti6Al4V alloy as a material for orthopaedic hip prostheses : investigations in vivo and in vitro", V: Electrochemistry in molecular and microscopic dimensions : book of abstracts, 53rd Annual Meeting of the International Society of Electrochemistry, jointly organized with GDCH-Fachgruppe Angewandte Elektrokemie, Düsseldorf, Germany, 15-20 September 2002, Frankfurt, DECHEMA, 2002, str. 151. [COBISS.SI-ID 16989479]

7. Ingrid Milošev, Venčeslav Pišot, Aleksandra Minović, Andrej Cör, Vane Antolič, "Isolation and differentiation of polyacetal and polyethylene wear particles from periprosthetic tissue of isoelastic stem", V: Final programme, ESB 2002, 17th European Conference on Biomaterials, including the Second Young Scientists Forum on Biomaterials, 11-14 September, Barcelona, Spain, [S.l.], EBS, 2002, str. P106. [COBISS.SI-ID 16990247]

8. Ingrid Milošev, Anita Zajc, Tadeja Kosec, Hans-Henning Strehblow, "Electrochemical behaviour of Cu-xZn alloys in slightly alkaline solutions", V: Electrochemistry in molecular and microscopic dimensions : book of abstracts, 53rd Annual Meeting of the International Society of Electrochemistry, jointly organized with GDCH-Fachgruppe Angewandte Elektrokemie, Düsseldorf, Germany, 15-20 September 2002, Frankfurt, DECHEMA, 2002, str. 164. [COBISS.SI-ID 16989735]

9. Andreja Popit, Janja Vaupotič, "The influence of geology on elevated radon concentrations in Slovenian schools and kindergartens", V: Knjiga povzetkov, 1. slovenski geološki kongres, Črna na Koroškem, 9.-11. oktober 2002, Aleksander Horvat, ur., Adrijan Košir, ur., Polona Vreča, ur., Mihael Brenčič, ur., Ljubljana, Geološki zavod Slovenije, 2002, str. 74. [COBISS.SI-ID 17131303]

10. Saša Prebil, Antonija Lesar, Milan Hodošček, "Conformational potential energy surface of BrOONO and comparison with ClOONO and HOONO", V: Book of abstracts, 6th World Congress of Theoretically Oriented Chemists, WATOC'02, 4-9 August 2002, Palazzo dei Congressi, Lugano, Switzerland, [S.l.], Università della Svizzera Italiana, 2002. [COBISS.SI-ID 16901927]

1.16 Samostojni znanstveni sestavek ali poglavje v monografski publikaciji

MONOGRAFIJE IN DRUGA ZAKLJUČENA DELA

2.03 Univerzitetni ali visokošolski učbenik z recenzijo

2.12 Končno poročilo o rezultatih raziskav

2.13 Elaborat, predštudija, študija

2. Rafael Martinčič, Ljudmila Benedik, Marija Božnar, Drago Brodnik, Petra Dujmović, Marko Gerl, Denis Glavič-Cindro, Sandi Gobec, Zvone Grabnar, Zvonka Jeran, Matjaž Korun, Matjaž Mihelič, Uroš Miklavžič, Primož Mlakar, Marijan Nečemer, Bogdan Pucelj, Marjan Ravnikar, Urška Repinc, Mirko Ribič, Emil Sosič, Janja Smrke, Barbara Svetek, Janja Vaupotič, Tim Vidmar, Branko Vodenik, Benjamin Zorko, Marija Žele, Stojan Žigon, Meritve radioaktivnosti v okolici Nuklearne elektrarne Krško : poročilo za leto 2001, (IJS delovno poročilo, 8515), 2002. [COBISS.SI-ID 16705575]

3. Ingrid Milošev, Anita Zajc, Poročilo o testiranju vzorcev pločevine iz nerjavnega jekla, prekrite z nikljevo prevleko, (IJS delovno poročilo, 8626), 2002. [COBISS.SI-ID 17005863]

4. Janja Vaupotič, Petra Dujmović, Ivan Kobal, Doze delavcev v Postojnski jami zaradi radona in radonovih razpadnih produktov, (IJS delovno poročilo, 8537), 2002. [COBISS.SI-ID 16632615]

5. Janja Vaupotič, Petra Dujmović, Andraž Roglič, Dodatne raziskave radona ter obsevne doze učencev in zaposlenih v Osnovni šoli Simona Jenka Kranj, podružnični šoli Center, (IJS delovno poročilo, 8624), 2002. [COBISS.SI-ID 16878375]

6. Janja Vaupotič, Andraž Roglič, Petra Dujmović, Ivan Kobal, Radon v slovenskih bolnišnicah, (IJS delovno poročilo, 8672), 2002. [COBISS.SI-ID 17194023]

IZVEDENA DELA (DOGODKI)

3.14 Predavanje na tuji univerzi

2. Anton Kokalj, Adsorption of ethylene on defective Ag(001) surfaces : a study based on density-functional theory : invited talk, Kyoto, Kyoto University, Department of Materials Science and Engineering, 30 Sep. 2002. [COBISS.SI-ID 17143079]

3. Anton Kokalj, Density functional theory study of thermal decomposition of N2O on Pd(110) surface : invited talk, Graz, Institut für Festkörperphysik der Technischen Universität, 15 Nov. 2002. [COBISS.SI-ID 17143335]

4. Anton Kokalj, Dissociation of N2O on Pd(110) surface from first principles : invited talk, Sapporo, CRC, Catalysis Research Center, 4 Oct. 2002. [COBISS.SI-ID 17142311]

5. Anton Kokalj, The effect of surface-defects and pre-adsorbed oxygen on the adsorption of ethylene on the Ag(001) : invited talk, Łódz, Technical University of Łódz, 12 Dec. 2002. [COBISS.SI-ID 17206823]

6. Anton Kokalj, Ethylene adsorption on perfect and defective Ag(100) surfaces : studies based on DFT : invited talk, Graz, Institut für Festkörperphysik der Technischen Universität, 15 Nov. 2002. [COBISS.SI-ID 17143591]

7. Anton Kokalj, Interaction of ethylene with silver surfaces : invited talk, Ljubljana, Kemijski institut, 21 marec 2002. [COBISS.SI-ID 17143847]

8. Anton Kokalj, Is the adsorption of ethylene on Ag(001) surface due to surface defects? : invited talk, Sapporo, CRC, Catalysis Research Center, 3 Oct. 2002. [COBISS.SI-ID 17142567]

9. Anton Kokalj, Selected studies of adsorption of small molecules on transition metal surfacesbased on density functional theory : invited talk, Tsukuba, Research Institute for Computational Sciences, National Institute of Advanced Indutrial Science and Technology, 10 Oct. 2002. [COBISS.SI-ID 17142823]

10. Andreja Popit, Ra-226 in spring waters of Slovenia : invited talk, Debrecen, ATOMKI, 11 Dec. 2002. [COBISS.SI-ID 17203751]

11. Janja Vaupotič, Vaje iz Radioanaliznih instrumentalnih metod pri predmetu Instrumentalne metode v okolju : univerzitetni študijski program Okolje v študijskem letu 2001/02, (12 ur), Nova Gorica, Politehnika, 2002. [COBISS.SI-ID 17124647]

3.15 Prispevek na konferenci brez natisa

2. Andrea Dal Corso, Anton Kokalj, Stefano de Gironcoli, Stefano Baroni, Oxygen induced missing-row reconstruction : a comparison between Cu(001) and Ag(001) surface : presented at workshop on "Towards and Understanding of Simple Catalytic Reactios, Nov. 29th 2002 at Elettra Synchrotron, Trieste, 2002. [COBISS.SI-ID 17207847]

3. Hideyuki Horino, Kenji Imamura, Bernard E. Nieuwenhuys, Anton Kokalj, Ivan Kobal, Yuichi Ohno, Atsuko Hiratsuka, Tatsuo Matsushima, Multi-directional N2 desorption in thermal dissociation of N20 on Pd(110), Rh(110) and Ir(110) at low temperatures : poster presented at CRC International Symposium on Photochemistry at Interfaces (PC@if), August 9-11, 2002 Catalysis Research center, Hokkaido University, Sapporo, Japan, 2002. [COBISS.SI-ID 17208359]

4. Anton Kokalj, Andrea Dal Corso, Nicola Bonini, Stefano Baroni, Theory of subsurface site occupation for O/Ag(210) : presented at workshop on "Towards and Understanding of Simple Catalytic Reactios, Nov. 29th 2002 at Elettra Synchrotron, Trieste, 2002. [COBISS.SI-ID 17207335]

5. Anton Kokalj, Andrea Dal Corso, Stefano de Gironcoli, Stefano Baroni, Effect of oxygen on the adsorption of ethylene on Ag(001) surface : presented at workshop on "Towards and Understanding of Simple Catalytic Reactios, Nov. 29th 2002 at Elettra Synchrotron, Trieste, 2002. [COBISS.SI-ID 17207591]

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