Odsek za fizikalno in organsko kemijo (K3)

ČLANKI IN DRUGI SESTAVNI DELI

1.01 Izvirni znanstveni članek

2. Urban Borštnik, Milan Hodošček, Dušanka Janežič, "Improving the performance of molecular dynamics simulations on parallel clusters", J. chem. inf. comput. sci., vol. 44, no. 2, str. [1-6], 2004. [COBISS.SI-ID 2970394]

3. K. Imamura, Anton Kokalj, Ivan Kobal, (9 avtorjev), "Multi-directional N[sub]2 decomposition on Rh(110) : presented at 22nd European Conference on Surface Science, 7-12 September 2003, Prague, Czech Republic", Surf. sci., vol. 566-568, str. 1076-1081, 2004. [COBISS.SI-ID 18455591]

4. Jernej Iskra, Stojan Stavber, Marko Zupan, "Nonmetal-catalyzed iodination of arenes with iodide and hydrogen peroxide", Synthesis (Stuttg.), no. 11, str. 1868-1873, 2004. [COBISS.SI-ID 18356263]

5. Marjan Jereb, Marko Zupan, Stojan Stavber, "Effective and selective iodofunctionalisation of organic molecules in water using iodine-hydrogen peroxide tandem", Chem. commun. (Lond., 1996), str. 2614-2615, 2004. [COBISS.SI-ID 18616871]

6. Peter Klampfer, Primož Benkič, Antonija Lesar, Bogdan Volavšek, Maja Ponikvar, Adolf Jesih, "New alkali metal and tetramethylammonium tetrafluoroarsenates(III), their vibrational spectra ad crystal structure of cesium tetrafluoroarsenate(III)", Collect. Czech. Chem. Commun., vol. 69, str. 339-350, 2004. [COBISS.SI-ID 18084391]

7. Aleksandra Kocijan, Ingrid Milošev, "Elektrokemijske in XPS-raziskave kobaltovih zlitin v simulirani fiziološki raztopini", Mater. tehnol., vol. 38, str. 339-343, 2004. [COBISS.SI-ID 18792999]

8. Aleksandra Kocijan, Ingrid Milošev, Darinka Kek, Boris Pihlar, "Electrochemical study of Co-based alloys in simulated physiological solution", J. Appl. Electrochem., letn. 34, str. 517-524, 2004. [COBISS.SI-ID 17668313]

9. Aleksandra Kocijan, Ingrid Milošev, Boris Pihlar, "Cobalt-based alloys for orthopaedic applications studied by electrochemical and XPS analysis", J. mater. sci., Mater. med., vol. 15, str. 643-650, 2004. [COBISS.SI-ID 18268711]

10. Anton Kokalj, Nicola Bonini, Andrea Dal Corso, Stefano de Gironcoli, Stefano Baroni, "On-surface and subsurface adsorption of oxygen on stepped Ag(210) and Ag(410) surfaces : structure and vibrations", Surf. sci., vol. 566-568, str.1107-1111, 2004. [COBISS.SI-ID 18456103]

11. Anton Kokalj, Nicola Bonini, Carlo Sbraccia, Stefano de Gironcoli, Stefano Baroni, "Engineering the reactivity of metal catalysts : a model study of methane dehydrogenation on Rh(111)", J. Am. Chem. Soc., vol. 126, str. 16732-16733, 2004. [COBISS.SI-ID 18694695]

12. Anton Kokalj, Andrea Dal Corso, Stefano de Gironcoli, Stefano Baroni, "Adsorption of ethylene on stepped Ag(001) surfaces", Surf. sci., vol. 566-568, str. 1018-1023, 2004. [COBISS.SI-ID 18455847]

13. Tadeja Kosec Mikić, Ingrid Milošev, Boris Pihlar, "Vedenje zlitin Cu-xZn zlitin v boratnem pufru z dodatkom kloridnih ionov", Mater. tehnol., vol. 38, str. 349-352, 2004. [COBISS.SI-ID 18793255]

14. Antonija Lesar, Milan Hodošček, Max Mühlhäuser, Sigrid D. Peyerimhoff, "Ab initio MRD-Cl study on the low-lying excited states of ClNO[sub]2", Chem. Phys. Lett., vol. 383, str.84-88, 2004. [COBISS.SI-ID 18071079]

15. Antonija Lesar, Saša Kovačič, Milan Hodošček, Max Mühlhäuser, Sigrid Peyerimhoff, "Ab initio MRD-Cl study on the electronic spectrum of BrNO[sub]2 and photofragmentation", J. phys. chem., A Mol. spectrosc. kinet. environ. gen. theory, vol. 108, str. 9469-9474, 2004. [COBISS.SI-ID 18619687]

16. Suwen Liu, Hideyuki Horino, Anton Kokalj, Izabela Rzeźnicka, Kenji Imamura, Yunsheng Ma, Ivan Kobal, Yuichi Ohno, Atsuko Hiratsuka, Tatsuo Matsushima, "N[sub]2 desorption in the decomposition of adsorbed n[sub]2O on Rh(110)", J. phys. chem., B Condens. mater. surf. interfaces biophys., vol. 108, str. 3828-3834, 2004. [COBISS.SI-ID 18192423]

17. Andreja Popit, Janja Vaupotič, Nataša Kukar, "Systematic radium survey in spring waters of Slovenia", J. environ. radioact., vol. 76, str. 337-347, 2004. [COBISS.SI-ID 18343207]

18. V. Roca, P. De Felice, A. M. Esposito, M. Pugliese, C. Sabbarese, Janja Vaupotič, "The influence of environmental parameters in electrostatic cell radon monitor response", Appl. radiat. isotopes, vol. 61, str. 243-247, 2004. [COBISS.SI-ID 18343463]

19. Gaj Stavber, Marko Zupan, Marjan Jereb, Stojan Stavber, "Selective and effective fluorination of organic compounds in water using Selectfluor F-TEDA-BF[sub]4", Org. lett., vol. 6, str. 4973-4976, 2004. [COBISS.SI-ID 18711079]

20. Janja Vaupotič, Ivan Kobal, "Unattached fraction of radon decay products as a crucial parameter for radon dosimetry in Postojna cave", Acta carsol., letn. 33, št. 1, str. 85-100, 2004. [COBISS.SI-ID 22337837]

21. Janja Vaupotič, Ivan Kobal, "Radon doses based on alpha spectrometry", Acta chim. slov., vol. 51, str. 159-168, 2004. [COBISS.SI-ID 18147111]

22. Boris Zmazek, Mladen Živčić, Ljupčo Todorovski, Sašo Džeroski, Janja Vaupotič, Ivan Kobal, "Anomalije radona v talnem zraku, povzročene s seizmično aktivnostjo", Acta geotech. Slov., vol. 1, str. 12-19, 2004. [COBISS.SI-ID 18701351]

1.02 Pregledni znanstveni članek

1.04 Strokovni članek

1.06 Objavljeni znanstveni prispevek na konferenci (vabljeno predavanje)

2. Jasmina Kožar Logar, Alexis Zrimec, Alenka Malej, Mladen Franko, "New methods in phytoplankton cell lysis detection", V: Weak photon emission from living tissues : delayed luminescence - facts & perspectives, Maja Berden Zrimec, ur., Alexis Zrimec, ur., Damjana Drobne, ur., Marziale Milani, ur., 1st ed., Grosuplje, Institute for Physical Biology, 2004, str. 66-69. [COBISS.SI-ID 1427791]

1.08 Objavljeni znanstveni prispevek na konferenci

2. Andreja Popit, Jože Kotnik, Janja Vaupotič, Milena Horvat, "Dissolved gaseous mercury and radon levels in thermal waters in relation to seismic activity", V: Mercury as a global pollutant : [presented at 7th International Conference on Mercury as a Global Pollutant, 27 June - 2 July, 2004, Ljubljana, Slovenia], (RMZ - Materials and geoenvironment, Vol. 51, no. 1-3, 2004, Letn. 51, št. 1-3, 2004), Milena Horvat, ur., Nives Ogrinc, ur., Jadran Faganeli, ur., Jože Kotnik, ur., Ljubljana, Naravoslovnotehniška fakulteta, Inštitut za rudarstvo, geotehnologijo in okolje, zv. 1, str. 190-194. [COBISS.SI-ID 18328615]

3. Andreja Popit, Ljupčo Todorovski, Boris Zmazek, Janja Vaupotič, Sašo Džeroski, Ivan Kobal, "Analysis of radon concentration in Slovenian thermal waters for earthquake prediction", V: Proceedings, The Fourth International Workshop on Environmental Applications of Machine Learning (EAML 2004), Bled, Slovenia, September 27-October 1, 2004, Sašo Džeroski, ur., Bernard Ženko, ur., Marko Debeljak, ur., Ljubljana, Jožef Stefan Institute, 2004, str. 53-54. [COBISS.SI-ID 18534439]

4. Janja Vaupotič, Jože Kotnik, Milena Horvat, Nicola Pirrone, "Correlation of dissolved gaseus mercury and radon profiles in the Mediterranean basin seawater", V: Mercury as a global pollutant : [presented at 7th International Conference on Mercury as a Global Pollutant, 27 June - 2 July, 2004, Ljubljana, Slovenia], (RMZ - Materials and geoenvironment, Vol. 51, no. 1-3, 2004, Letn. 51, št. 1-3, 2004), Milena Horvat, ur., Nives Ogrinc, ur., Jadran Faganeli, ur., Jože Kotnik, ur., Ljubljana, Naravoslovnotehniška fakulteta, Inštitut za rudarstvo, geotehnologijo in okolje, zv. 2, str. 1430-1433. [COBISS.SI-ID 18333223]

5. Jernej Zidar, Elizabeta Tratar-Pirc, Peter Bukovec, Milan Hodošček, "Iskanje potencialnih vezavnih mest za Cu[na]2+ ione na prionskem proteinu", V: Jubilejni 10. Slovenski kemijski dnevi 2004, Maribor, 23. in 24. september 2004, Peter Glavič, ur., Darinka Brodnjak-Vončina, ur., Maribor, FKKT, 2004, str. [1-7]. [COBISS.SI-ID 26138373]

1.12 Objavljeni povzetek znanstvenega prispevka na konferenci

2. N. Bonini, Anton Kokalj, Andrea Dal Corso, Stefano de Gironcoli, Stefano Baroni, "On-surface and subsurface adsorption of oxygen on Ag(100) vicinal surfaces : structure and vibrations", V: Program and abstracts, 11th International Conference on Vibrations at Surfaces, June 6-10, 2004, Atlantic Oakes-by-the-Sea, Bar Harbor, Maine, USA, [S.l., s.n.], 2004, str. O-10. [COBISS.SI-ID 18411559]

3. Urban Borštnik, Milan Hodošček, Dušanka Janežič, "Improving the speed of molecular dynamics simulations on hierarchial parallel processors : [poster]", V: [Book of abstracts], 2nd Central European Conference Chemistry towards Biology, 26-29 September 2004, Seggau, Austria, Graz, Uni Graz, 2004, str. 41. [COBISS.SI-ID 3112218]

4. Jožica Dolenc, Urban Borštnik, Milan Hodošček, Jože Koller, Dušanka Janežič, "Investigating the stability of three netropsin-DNA complexes using ab initio QM/MM calculations : [poster]", V: [Book of abstracts], 2nd Central European Conference Chemistry towards Biology, 26-29 September 2004, Seggau, Austria, Graz, Uni Graz, 2004, str. 44-45. [COBISS.SI-ID 3114266]

5. Aleksandra Kocijan, Ingrid Milošev, "Elektrokemijske in XPS raziskave kobaltovih zlitin v simulirani fiziološki raztopini", V: Program in knjiga povzetkov, Monika Jenko, ur., Ljubljana, Inštitut za kovinske materiale in tehnologije], 2004, str. 101. [COBISS.SI-ID 18585639]

6. Anton Kokalj, "Engineering the nano-catalysts : a model study of methane dehydrogenation on Rh(111)", V: 2nd International COE Symposium on: "Large-Scale Computing Methods for Materials Chemistry and Bioscience" : November 2, 2004, Tohoku University, Tohoku, Institute of Multidisciplinary Research for Advanced Materials, 2004, str. 9. [COBISS.SI-ID 18698279]

7. Anton Kokalj, N. Bonini, C. Sbraccia, Stefano de Gironcoli, Stefano Baroni, "The role of defects on the catalytic deprotonation of methane on transition metal surface : an ab initio study on Rh(111)", V: IVC-16 (16th International Vacuum Congress) [also] ICSS-12 (12th International Conference on Solid Surfaces) [also] NANO-8 (8th International Conference on Nanometer-scale Science and Technology) [also] AIV-17 (17th Vacuum National Symposium), June 28 - July 2, 2004, Venice, Italy, [S.l.], IUVSTA - International Union for Vacuum Science, Technology and Applications, Assoziazione Italiana del vuoto, 2004, str. 734. [COBISS.SI-ID 18412071]

8. Janez Konc, Milan Hodošček, Dušanka Janežič, "Molecular surface walk : [poster]", V: [Book of abstracts], 2nd Central European Conference Chemistry towards Biology, 26-29 September 2004, Seggau, Austria, Graz, Uni Graz, 2004, str. 51-52. [COBISS.SI-ID 3112474]

9. Tadeja Kosec Mikić, Ingrid Milošev, Boris Pihlar, "Vedenje zlitin Cu-xZn zlitin v boratnem pufru z dodatkom kloridnih ionov", V: Program in knjiga povzetkov, Monika Jenko, ur., Ljubljana, Inštitut za kovinske materiale in tehnologije], 2004, str. 104. [COBISS.SI-ID 18514215]

10. Jasmina Kožar Logar, Alenka Malej, Mladen Franko, "On-line monitoring of phytoplankton cell lysis by a double dual beam thermal lens spectrometer", V: Abstracts, 13th ICPPP, International Conference on Photoacoustic and Photothermal Phenomena, Rio de Janeiro, Brazil, [S.l., s.n.], 2004, srt. 13O-04. [COBISS.SI-ID 18521127]

11. Jasmina Kožar Logar, Janja Vaupotič, Ivan Kobal, "Tritium measurements in Slovenia - historical overview until 2004", V: Abstracts, September 12-17,2004, Baden-Baden, Germany, [S.l., s.n.], 2004, str. 111. [COBISS.SI-ID 18520871]

12. Antonija Lesar, Saša Kovačič, Milan Hodošček, Max Mühlhäuser, Sigrid Peyerimhoff, "Ab initio MRD-Cl study of BrNO[sub]2 electronic spectrum and photofragmentation", V: Book of abstracts : a conference in honour of professor Jacopo Tomasi : Lucca, San Michellato Convention center, August 1-4, 2004, [S.l., s.n.], 2004, str. P25. [COBISS.SI-ID 18385447]

13. Sonja Lojen, Neven Cukrov, Goran Mihelčič, Tadej Dolenec, Barbara Vokal, Wolfgang Papesch, "Fufas from Krka river (Croatia) : suitable climatic records?", V: 32nd International Geological Congress, Florence, Italy, August 20-28, 2004 : abstracts, [Florence, Org. odb., 2004], str. 1474. [COBISS.SI-ID 18587431]

14. Ingrid Milošev, Venčeslav Pišot, Boris Pihlar, "Trace concentration of cobolt in human serum determined by adsorptive stripping voltammetry", V: Electrochemistry: from nanostructures to power plants : book of abstracts, ISE 2004 Annual Meeting - 55th Annual Meeting of the International Society of Electrochemistry, 19-24 September 2004, Thessaloniki, Greece, [S.l., International Society of Electrochemistry, 2004, str. 399. [COBISS.SI-ID 18538535]

15. Ingrid Milošev, Venčeslav Pišot, Rihard Trebše, Simon Kovač, Andrej Cör, "Concerned performance of metal/metal prostheses?", V: Program, 5th Combined Meeting of the Orthopaedic Research Societis of Canada, USA, Japan and Europe, October 10-13,2004, Banff, Alberta, Canada, [S.l., s.n.], 2004. [COBISS.SI-ID 18586151]

16. Ingrid Milošev, Hans-Henning Strehblow, "The composition of the pasive formed on CoCrMo alloy in physiological solution", V: Electrochemistry: from nanostructures to power plants : book of abstracts, ISE 2004 Annual Meeting - 55th Annual Meeting of the International Society of Electrochemistry, 19-24 September 2004, Thessaloniki, Greece, [S.l., International Society of Electrochemistry, 2004, str. 891. [COBISS.SI-ID 18538791]

17. Ajda Podgoršek, Stojan Stavber, Marko Zupan, Jernej Iskra, "Use of a fluorous bridge for diffusion controlled halogenations of organic molecules", V: Abstracts, XIVth European Symposium on Fluorine Chemistry, Poznań, Poland, 11-16 July,2004, Poznań, Adam Mickiewicz University, 2004, str. 322. [COBISS.SI-ID 18369575]

18. Ajda Podgoršek, Stojan Stavber, Marko Zupan, Jernej Iskra, "Use of fluorous bridge for diffusion control halogenation of organic molecules", V: Neoteric solvents as reaction media: reality and future : Young chemists' workshop, St. Malo (France), April 17th-21st, 2004, St. Malo, Chemistry Department of CNRS, 2004. [COBISS.SI-ID 18217255]

19. P. Szerbin, Janja Vaupotič, I. Csige, I. Hunyadi, "Radon in vine cellars in Hungary and Slovenia", V: Program & abstracts, 6th International Conference on High Levels of Natural Radiation and Radon Areas, September 6-10,2004, Kinki University, Osaka, Japan, Osaka, Kinki University, National Institute of Radiological Sciences, 2004, str. 116. [COBISS.SI-ID 18824999]

20. Katja Žmitek, Stojan Stavber, Marko Zupan, Jernej Iskra, "Fluronated alcohol directed formation of dispiro-1,2,4,5-tetraoxanes by hydrogen peroxide and acid", V: Abstracts, XIVth European Symposium on Fluorine Chemistry, Poznań, Poland, 11-16 July,2004, Poznań, Adam Mickiewicz University, 2004, str. 55. [COBISS.SI-ID 18369319]

MONOGRAFIJE IN DRUGA ZAKLJUČENA DELA

2.13 Elaborat, predštudija, študija

2. Matjaž Korun, Denis Glavič-Cindro, Tim Vidmar, Benjamin Zorko, Branko Vodenik, Jasmina Kožar Logar, Petra Dujmović, Radioaktivnost jezerskih vod in jezerskih sedimentov v Sloveniji, (IJS delovno poročilo, 9036), 2004. [COBISS.SI-ID 18696999]

3. Janja Vaupotič, Radon v javnih zgradbah v Sloveniji : preliminarno poročilo, (IJS delovno poročilo, 9029), 2004. [COBISS.SI-ID 18814247]

4. Janja Vaupotič, Petra Dujmović, Ivan Kobal, Doze delavcev v postojnski jami zaradi radona in radonovih razpadnih produktov (v času od 1.1.2003 do 31.12.2003), (IJS delovno poročilo, 8945), 2004. [COBISS.SI-ID 18197287]

5. Janja Vaupotič, Petra Dujmović, Ivan Kobal, Radon in sevanje gama v delovnem okolju : zgradbe na področjih povečanega tveganja - I. del, (IJS delovno poročilo, 9068), 2004. [COBISS.SI-ID 18822183]

6. Janja Vaupotič, Andraž Roglič, Petra Dujmović, Ivan Kobal, Dodatne raziskave radona ter obsevne doze dijakov in zaposlenih v Gimnaziji Novo mesto, (IJS delovno poročilo, 8954), 2004. [COBISS.SI-ID 18196775]

IZVEDENA DELA (DOGODKI)

3.14 Predavanje na tuji univerzi

2. Anton Kokalj, Adsorption of N[sub]2 on Rh (110) and Pb (110) : invited talk, Okazaki, Japan, Institute of Molecular Science, 25 Oct. 2004. [COBISS.SI-ID 18694439]

3. Anton Kokalj, Deprotonation of methane on transition metal surfaces : role of local geometry of the reaction site : invited talk, Łódz, Poland, Institute of Applied Radioation Chemistry, Technical University, 22 June 2004. [COBISS.SI-ID 18448679]

4. Andreja Popit, Continuous measurement of radon concentration in Slovenian thermal springs in relation to seismic activity : invited talk, Trieste, Instituto Nazionale di Oceanofrafia e di Geofisica Sperimentale, 20 May 2004. [COBISS.SI-ID 18253607]

5. Janja Vaupotič, Radon : predavanja za študente medicine in stomatologije v okviru predmeta HIGIENA v študijskem letu 2003/2004, Ljubljana, Medicinska fakulteta, Katedra za javno zdravje - higiena, 2004. [COBISS.SI-ID 18804775]

6. Janja Vaupotič, Ivan Kobal, Exposure to radon research in Slovenian kindergartens and schools : invited talk, Kobe, Kobe Pharmaceutical University, 24 Sep. 2004. [COBISS.SI-ID 18805799]

7. Janja Vaupotič, Ivan Kobal, Radon research in Slovenia with emphasis to kindergartens and schools : invited talk, Chiba, National Institute of Radiological Sciences, 1 Oct. 2004. [COBISS.SI-ID 18805031]

8. Janja Vaupotič, Ivan Kobal, Review of radon research in Slovenia : invited talk, Sapporo, Holaido University, 28 Sep. 2004. [COBISS.SI-ID 18805543]

3.15 Prispevek na konferenci brez natisa

2. Anton Kokalj, Deprotonation of methane on Rh(111) : an example of weak molecule-surface interaction : presented at Workshop on Weak Molecular Interactions, 26-28 April 2004, Trieste, Italy, Democritos Modeling Center for Research in Atomistic Simulation, 2004. [COBISS.SI-ID 18224167]

3. Anton Kokalj, PWscf & XCrysDen : advanced I/O handling (II) : presented at INFM-Democritos, Cineca, Corso sul calcolo delle proprieta' elettroniche, structurali e dinamiche dei materiali, 1-5 Marzo 2004, Cineca, Bologna, Italy, 2004. [COBISS.SI-ID 18192935]

4. Anton Kokalj, PWscf & XCrysDen : advanced I/O handling : presented at INFM-Democritos, Cineca, Corso sul calcolo delle proprieta' elettroniche, structurali e dinamiche dei materiali, 1-5 Marzo 2004, Cineca, Bologna, Italy, 2004. [COBISS.SI-ID 18192679]

3.16 Vabljeno predavanje na konferenci brez natisa

2. Ingrid Milošev, Total hip replacement : basic aspects : invited talk presented at 2nd Annual Meeting of the National Biomaterial and Tissue Engineering Graduate School, 9.6-10.6.2004, Kuopio, Finland, 2004. [COBISS.SI-ID 18268967]

3. M. Santulin, Anna Riggio, S. Sancin, Andreja Popit, Janja Vaupotič, Misure di radon e sismicità nella zona di confine tra Italia e Slovenia : presented at Gruppo nazionale di Geofisica della terra Solida, 23° Convegno Nazionale, 14-16 diecembre 2004, Roma, Italy, 2004. [COBISS.SI-ID 18825255]

SEKUNDARNO AVTORSTVO

Mentor pri doktorskih disertacijah

Komentor pri magistrskih delih

Komentor pri diplomskih delih

2. Jasminka Pavlinac, Halogeniranje nekaterih biomimetskih modelnih molekul iz skupine metoksi substituiranih benzenovih derivatov : diplomsko delo, Ljubljana, [J. Pavlinac], 2004. [COBISS.SI-ID 18318375]

3. Gaj Stavber, Floriranje organskih molekul s Selectfuor[zgoraj](TM) F_TEDA-BF[sub]4 v vodi : diplomsko delo, Ljubljana, [G. Stavber], 2004. [COBISS.SI-ID 18317863]