Lesar *, Antonija: search on Z-Library

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1

Periodic DFT Study of the Pt(111): A p(1×1) Atomic Oxygen Interaction with the Surface

Kokalj, Anton, Lesar, Antonija, Hodošček, Milan, Causà, Mauro

Journal:

Journal of Physical Chemistry B

Year:

1999

Language:

english

File:

PDF, 291 KB

english, 1999

2

15N and 18O kinetic isotope effects in the thermal decomposition of N2O catalyzed by bromine

Lesar, Antonija, Senegačnik, Marjan

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 788 KB

english, 1993

3

Ab initio MRD-CI Study of the Electronic Spectrum of BrNO2 and Photofragmentation.

Antonija Lesar, Sasa Kovacic, Milan Hodoscek, Max Muehlhaeuser, Sigrid D. Peyerimhoff

Journal:

Year:

2004

File:

PDF, 7 KB

2004

4

Triazole, Benzotriazole, and Naphthotriazole as Copper Corrosion Inhibitors: I. Molecular Electronic and Adsorption Properties

Dr. Anton Kokalj, Nataša Kovačević, Sebastijan Peljhan, Dr. Matjaž Finšgar, Dr. Antonija Lesar, Prof. Dr. Ingrid Milošev

Journal:

Year:

2011

Language:

english

File:

PDF, 2.07 MB

english, 2011

5

Preferential occurrence of carbon monoxide oxidation on two reaction sites on platinum (113)

Antonija Lesar, Toshiro Yamanaka, Yuichi Ohno, Tatsuo Matsushima

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 504 KB

english, 1995

6

Theoretical characterization of the reactions CH3XCH2O2 + NO (X = O, S)

Agnie Mylona Kosmas, Stavroula Liaska, Antonija Lesar

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 820 KB

english, 2011

7

Ab initio MRD-CI study on the low-lying excited states of ClNO2

Antonija Lesar, Milan Hodošček, Max Mühlhäuser, Sigrid D Peyerimhoff

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 315 KB

english, 2004

8

Theoretical characterization of halogenated methylperoxy nitrites CXnY3−nOONO (X, Y = H, F, Cl)

Antonija Lesar, Zoi Salta, Saša Kovačič, Agnie M. Kosmas

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 258 KB

english, 2007

9

A comparative electrochemical and quantum chemical calculation study of BTAH and BTAOH as copper corrosion inhibitors in near neutral chloride solution

Matjaž Finšgar, Antonija Lesar, Anton Kokalj, Ingrid Milošev

Journal:

Electrochimica Acta

Year:

2008

Language:

english

File:

PDF, 1.19 MB

english, 2008

10

Ab initio investigation of the photofragmentation of bromomethanol

Antonija Lesar, Melanie Schnell, Max Mühlhäuser, Sigrid D Peyerimhoff

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 450 KB

english, 2002

11

Conformational potential energy surface of BrOONO

Antonija Lesar, Saša Prebil, Max Mühlhäuser, Milan Hodošček

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 167 KB

english, 2003

12

Interaction of oxygen with the Pt(111) surface: a cluster model study

Anton Kokalj, Antonija Lesar, Milan Hodošček

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 525 KB

english, 1997

13

Product channels in the reaction of the CH3SO radical with NO2: DFT and ab initio studies

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 405 KB

english, 2012

14

Mass spectrometric investigation of the evaporation properties of Ba2CaWO6 and Ba2SrWO6

Arkadij Popovič, Laszlo Bencze, Jože Marsel, Antonija Lesar, K. Vass-Balthazar, O. Kaposi

Journal:

Rapid Communications in Mass Spectrometry

Year:

1993

Language:

english

File:

PDF, 453 KB

english, 1993

15

Sublimation properties of CoF3: mass spectrometric and quantum chemical studies

Arkadij Popovic, Antonija Lesar, Julietta V. Rau, László Bencze

Journal:

Rapid Communications in Mass Spectrometry

Year:

2001

Language:

english

File:

PDF, 187 KB

english, 2001

16

Synthesis, Crystal Structure and Raman Spectrum of Hydrazinium(+2) Fluoroarsenate(III) Fluoride, N2H6AsF4F

Peter Klampfer, Primož Benkič, Maja Ponikvar, Ana Rahten, Antonija Lesar, Adolf Jesih

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

17

Angular distribution of desorbing carbon dioxide produced in two processes on a stepped platinum (557) surface

Yuichi Ohno, J.Ricardo Sanchez, Antonija Lesar, Toshiro Yamanaka, Tatsuo Matsushima

Journal:

Surface Science

Year:

1997

Language:

english

File:

PDF, 709 KB

english, 1997

18

Computational investigation of the peroxy radicals CH3S(O)nOO and the peroxynitrates CH3S(O)nOONO2 (n = 0, 1, 2)

Zoi Salta, Agnie M. Kosmas, Antonija Lesar

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 490 KB

english, 2012

19

Theoretical Study on the Mechanism of the Reaction of CF 3 S with NO 2

Lesar, Antonija, Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

20

Mechanistic study on the reaction of the CH2ClO2 radical with NO

Lesar, Antonija

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 917 KB

english, 2013

21

Effect of Halogenation on the Mechanism of the Atmospheric Reactions between Methylperoxy Radicals and NO. A computational Study

Kosmas, Agnie M., Salta, Zoi, Lesar, Antonija

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 522 KB

english, 2009

22

The Electronic Spectra of CH 2 XOH (X = F, Cl, Br): A Comparative Study

Schnell, Melanie, Mühlhäuser, Max, Lesar, Antonija, Peyerimhoff, Sigrid D.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 147 KB

english, 2003

23

Ab Initio Characterization of ClNO 3 Isomers

Lesar, Antonija, Prebil, Saša, Hodošček, Milan

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 92 KB

english, 2003

24

Atmospheric Reaction of the HOSO Radical with NO 2 : A Theoretical Study

Lesar, Antonija, Tavčar, Anita

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.73 MB

english, 2011

25

Electronic Spectrum and Photodissociation of ClONO in Comparison to BrONO

Lesar, Antonija, Kovačič, Saša, Hodošček, Milan, Mühlhäuser, Max, Peyerimhoff, Sigrid D.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 174 KB

english, 2005

26

Quantum Mechanical Investigation of the Atmospheric Reaction CH 3 O 2 + NO

Lesar, Antonija, Hodošček, Milan, Drougas, Evangelos, Kosmas, Agnie M.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 237 KB

english, 2006

27

Ab Initio Studies on the Structures and Vibrational Frequencies of Rare Earth Fluorides LnF n (Ln = Er, Tm; n = 1, 2, 3) and Their Positive Ions and an Assessment of Their Ionization and Dissociation Energies

Lesar, Antonija, Muri, Gregor, Hodošček, Milan

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 53 KB

english, 1998

28

Structure, Stability, and Spectroscopic Properties of H-Bonded Complexes of HOSO and CH 3 SO with H 2 O

Lesar, Antonija, Tušar, Simona

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.91 MB

english, 2014

29

Thermal Decomposition of N 2 O over ZnO: Kinetic Isotope Effects Study

Žemva, Peter, Lesar, Antonija, Kobal, Ivan, Senegačnik, Marjan

Journal:

Year:

2001

Language:

english

File:

PDF, 84 KB

english, 2001

30

Quantum Mechanical Study of the Potential Energy Surface of the ClO + NO 2 Reaction

Kovačič, Saša, Lesar, Antonija, Hodošček, Milan

Journal:

Journal of Chemical Information and Modeling

Year:

2005

Language:

english

File:

PDF, 330 KB

english, 2005

31

Kinetic Isotope Effects in the N 2 O Decomposition over NiO

Žemva, Peter, Lesar, Antonija, Kobal, Ivan, Senegačnik, Marjan

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 80 KB

english, 2001

32

Ab Initio MRD-CI Study of the Electronic Spectrum of BrNO 2 and Photofragmentation

Lesar, Antonija, Kovačič, Saša, Hodošček, Milan, Mühlhäuser, Max, Peyerimhoff, Sigrid D.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 100 KB

english, 2004

33

Fine tuning of the Mills?Nixon effect. Influence of substituents in some 1,2-dihydrobenzocyclobutenes and benzocyclobutenes

Eckert-Maksi?, Mirjana, Lesar, Antonija, Maksi?, Zvonimir B.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1992

Language:

english

File:

PDF, 607 KB

english, 1992

34

Nitrogen-15 and oxygen-18 kinetic isotope effects in the catalytic decomposition of N2O over MgO

Žemva, Peter, Lesar, Antonija, Senegačnik, Marjan, Kobal, Ivan

Journal:

Physical Chemistry Chemical Physics

Year:

2000

Language:

english

File:

PDF, 168 KB

english, 2000

35

Ab initio molecular orbital and density functional characterization of the potential energy surface of the N[sub 2]O+Br reaction

Lesar, Antonija, Hodošček, Milan

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 408 KB

english, 1998

36

Experimental and theoretical studies of the decomposition of N2O catalyzed by chlorine

Lesar, Antonija, Hodošček, Milan, Senegačnik, Marjan

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 414 KB

english, 1996

37

Low-lying excited states and photodissociation studies of cis -BrONO

Lesar *, Antonija, Kovačič, Saša, Hodošček, Milan, Stadler, Margret G., MÜhlhÄuser, Max, Peyerimhoff, Sigrid D.

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 306 KB

english, 2005

38

New Alkali Metal and Tetramethylammonium Tetrafluoroarsenates(III), Their Vibrational Spectra and Crystal Structure of Cesium Tetrafluoroarsenate(III)

Klampfer, Peter, Benkič, Primož, Lesar, Antonija, Volavšek, Bogdan, Ponikvar, Maja, Jesih, Adolf

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2004

Language:

english

File:

PDF, 123 KB

english, 2004

39

Computational study of the perhalogenated methyl nitrates CX 3 ONO 2 , CX x Y 3− x ONO 2 (X, Y = F, Cl)

Kosmas, Agnie M., Lesar, Antonija

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 193 KB

english, 2008

40

Amino acids as corrosion inhibitors for copper in acidic medium: Experimental and theoretical study

Milosev, Ingrid, Pavlinac, Jasminka, Hodoscek, Milan, Lesar, Antonija

Journal:

Journal of the Serbian Chemical Society

Year:

2013

Language:

english

File:

PDF, 718 KB

english, 2013

41

Theoretical Interpretation of Kinetic Isotope Effects for the Reaction of CO 2 on a Mg Surface

Vidmar, Polona, Lesar, Antonija, Kobal, Ivan, Koller, Jože

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 814 KB

english, 1996

42

AIP Conference Proceedings [AIP Publishing LLC INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2014 (ICCMSE 2014) - Athens, Greece (4–7 April 2014)] - S-OO bond dissociation energies and enthalpies of formation of the thiomethyl peroxyl radicals CH3S(O)nOO (n=0,1,2)

Salta, Zoi, Kosmas, Agnie Mylona, Lesar, Antonija

Year:

2014

Language:

english

File:

PDF, 266 KB

english, 2014

43

Hydrogen bonding in the hydroxysulfinyl radical-formic acid-water system: A theoretical study

Tušar, Simona, Lesar, Antonija

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 796 KB

english, 2016

44

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1 - ()] AIP Conference Proceedings - Halogenated Methyl Nitrates, CX[sub 3]ONO[sub 2] (X = F, Cl). A Computational Study of their Properties and Capacity to Act as Sink Compounds in the Troposphere

Kosmas, Agnie M., Lesar, Antonija, Simos, Theodore E., Maroulis, George

Year:

2007

Language:

english

File:

PDF, 330 KB

english, 2007

45

Computational studies on the reactions of the peroxy radical CF3OCH2O2 .with HO2.and NO

Salta, Zoi, Liaska, Stavroula, Papayannis, Demetrios K., Lesar, Antonija, Kosmas, Agnie M.

Journal:

Computational and Theoretical Chemistry

Year:

2019

Language:

english

File:

PDF, 1.98 MB

english, 2019