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1

Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study

Cwiklik, Lukasz, Aquino, Adelia J. A., Vazdar, Mario, Jurkiewicz, Piotr, Pittner, Jiří, Hof, Martin, Lischka, Hans

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.56 MB

english, 2011

2

Automerization reaction of cyclobutadiene and its barrier height: An ab initio benchmark multireference average-quadratic coupled cluster study

Eckert-Maksić, Mirjana, Vazdar, Mario, Barbatti, Mario, Lischka, Hans, Maksić, Zvonimir B.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 155 KB

english, 2006

3

Arginine “Magic”: Guanidinium Like-Charge Ion Pairing from Aqueous Salts to Cell Penetrating Peptides

Vazdar, Mario, Heyda, Jan, Mason, Philip E., Tesei, Giulio, Allolio, Christoph, Lund, Mikael, Jungwirth, Pavel

Journal:

Accounts of Chemical Research

Year:

2018

Language:

english

File:

PDF, 3.59 MB

english, 2018

4

Foundations of Organic Chemistry. Unity and Diversity of Structures, Pathways, and Reactions. By David R. Dalton.

Katarina Vazdar, Martin Holan, Ullrich Jahn

Journal:

Angewandte Chemie International Edition

Year:

2012

Language:

english

File:

PDF, 247 KB

english, 2012

5

ChemInform Abstract: Lewis Acid Promoted Diastereoselective Mannich Reaction of β-Lactam-Tethered Aldimines (III) with 1-Methoxy-1-trimethylsilyloxy-2,2-dimethylethene.

Katarina Vazdar, Davor Margetic, Ivan Habus

Journal:

Year:

2011

File:

PDF, 42 KB

2011

6

The effect of protonation on the photodissociation processes in formamide – An ab initio surface hopping dynamics study

Ivana Antol, Mario Vazdar, Mario Barbatti, Mirjana Eckert-Maksić

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 898 KB

english, 2008

7

The on-the-fly surface-hopping program system Newton-X: Application to ab initio simulation of the nonadiabatic photodynamics of benchmark systems

Mario Barbatti, Giovanni Granucci, Maurizio Persico, Matthias Ruckenbauer, Mario Vazdar, Mirjana Eckert-Maksić, Hans Lischka

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Year:

2007

Language:

english

File:

PDF, 1.20 MB

english, 2007

8

Electrodeposition of nano-sized nuclei of magnetic Co–Ni alloys onto n-Si (1 0 0)

Carlos A. Moina, Mario Vazdar

Journal:

Electrochemistry Communications

Year:

2001

Language:

english

File:

PDF, 341 KB

english, 2001

9

Zwitterionic structures of strainedcis-pyramidalized disilenes: fact or artifact

Zoran Glasovac, Ivana Antol, Mario Vazdar, Davor Margetić

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2009

Language:

english

File:

PDF, 377 KB

english, 2009

10

Foundations of Organic Chemistry. Unity and Diversity of Structures, Pathways, and Reactions. Von David R. Dalton.

Katarina Vazdar, Martin Holan, Ullrich Jahn

Journal:

Angewandte Chemie

Year:

2012

Language:

german

File:

PDF, 245 KB

german, 2012

11

Synthesis of new steroid-β-lactam hybrids via palladium-catalyzed aminocarbonylation

János Balogh, Rita Skoda-Földes, Katarina Vazdar, Ivan Habuš

Journal:

Journal of Organometallic Chemistry

Year:

2012

Language:

english

File:

PDF, 297 KB

english, 2012

12

Magnetic domain states in nano-sized Co nuclei electrodeposited onto monocrystalline silicon

C.A. Moina, L. de Oliveira-Versic, M. Vazdar

Journal:

Materials Letters

Year:

2004

Language:

english

File:

PDF, 344 KB

english, 2004

13

Calculation of Unbalanced Magnetic Pull in a Salient-Pole Synchronous Generator Using Finite-Element Method and Measured Shaft Orbit

Zarko, D., Ban, D., Vazdar, I., Jaric, V.

Journal:

IEEE Transactions on Industrial Electronics

Year:

2012

Language:

english

File:

PDF, 1.09 MB

english, 2012

14

Lewis Acid Promoted Diastereoselective Mannich Reaction of β-Lactam-Tethered Aldimines with 1-Methoxy-1-trimethylsilyloxy-2,2-dimethylethene

Habuš, Ivan, Vazdar, Katarina, Margetić, Davor

Journal:

Year:

2011

Language:

english

File:

PDF, 1.08 MB

english, 2011

15

Excited-state non-adiabatic dynamics simulations of pyrrole

Vazdar, Mario, Eckert-Maksić, Mirjana, Barbatti, Mario, Lischka, Hans

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 893 KB

english, 2009

16

QM/MM non-adiabatic decay dynamics of formamide in polar and non-polar solvents

Antol, Ivana, Eckert-Maksić, Mirjana, Vazdar, Mario, Ruckenbauer, Matthias, Lischka, Hans

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.57 MB

english, 2012

17

Like-Charge Ion Pairing in Water: An Ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations

Vazdar, Mario, Uhlig, Frank, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.02 MB

english, 2012

18

Like-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations

Vazdar, Mario, Vymětal, Jiři, Heyda, Jan, Vondrášek, Jiři, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.12 MB

english, 2011

19

Ions at Hydrophobic Aqueous Interfaces: Molecular Dynamics with Effective Polarization

Vazdar, Mario, Pluhařová, Eva, Mason, Phil E., Vácha, Robert, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1023 KB

english, 2012

20

Very Strong Organosuperbases Formed by Combining Imidazole and Guanidine Bases: Synthesis, Structure, and Basicity

Vazdar, Katarina, Kunetskiy, Roman, Saame, Jaan, Kaupmees, Karl, Leito, Ivo, Jahn, Ullrich

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 1.46 MB

english, 2014

21

Accurate Determination of the Orientational Distribution of a Fluorescent Molecule in a Phospholipid Membrane

Timr, Štěpán, Bondar, Alexey, Cwiklik, Lukasz, Štefl, Martin, Hof, Martin, Vazdar, Mario, Lazar, Josef, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 3.88 MB

english, 2014

22

O146 Prediction of reversibility of cardiotoxicity caused by immunotherapy with trastuzumab

Gabrić, Ivo Darko, Vazdar, Ljubica, Pintarić, Hrvoje, Planinc, Danijel, Trbušić, Matias, Jazvić, Marijana, Vinter, Ozren, Soldić, Željko, Delić-Brkljačić, Diana

Journal:

Year:

2014

Language:

english

File:

PDF, 141 KB

english, 2014

23

Acetamide as the model of the peptide bond: Nonadiabatic photodynamical simulations in the gas phase and in the argon matrix

Eckert-Maksić, Mirjana, Antol, Ivana, Vazdar, Mario

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

24

The study of hydrogen bonding and π⋯π interactions in phenol⋯ethynylbenzene complex by IR spectroscopy

Vojta, Danijela, Vazdar, Mario

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1.17 MB

english, 2014

25

Cardiac safety profile of trastuzumab in elderly patients

Silovski, T., Vazdar, L., Šeparović, R., Pavlovic, M.

Journal:

Journal of Geriatric Oncology

Year:

2013

Language:

english

File:

PDF, 63 KB

english, 2013

26

Behavior of 4-Hydroxynonenal in Phospholipid Membranes

Vazdar, Mario, Jurkiewicz, Piotr, Hof, Martin, Jungwirth, Pavel, Cwiklik, Lukasz

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.90 MB

english, 2012

27

The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study

Eckert-Maksić, Mirjana, Lischka, Hans, Maksić, Zvonimir B., Vazdar, Mario

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 565 KB

english, 2009

28

Aqueous Guanidinium–Carbonate Interactions by Molecular Dynamics and Neutron Scattering: Relevance to Ion–Protein Interactions

Vazdar, Mario, Jungwirth, Pavel, Mason, Philip E.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.52 MB

english, 2013

29

Orientational Dependence of the Affinity of Guanidinium Ions to the Water Surface

Wernersson, Erik, Heyda, Jan, Vazdar, Mario, Lund, Mikael, Mason, Philip E., Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.20 MB

english, 2011

30

Aggregation of Oligoarginines at Phospholipid Membranes: Molecular Dynamics Simulations, Time-Dependent Fluorescence Shift, and Biomimetic Colorimetric Assays

Vazdar, Mario, Wernersson, Erik, Khabiri, Morteza, Cwiklik, Lukasz, Jurkiewicz, Piotr, Hof, Martin, Mann, Ella, Kolusheva, Sofiya, Jelinek, Raz, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

31

Matrix-controlled photofragmentation of formamide: dynamics simulation in argon by nonadiabatic QM/MM method

Eckert-Maksić, Mirjana, Vazdar, Mario, Ruckenbauer, Matthias, Barbatti, Mario, Müller, Thomas, Lischka, Hans

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.60 MB

english, 2010

32

Thermal reaction of [3,4]-benzo-8-substituted-3Z,5Z,7E-octatetraenes and quantum-chemical study of the (8π,6π)-electrocyclisation

Škorić, Irena, Pavošević, Fabijan, Vazdar, Mario, Marinić, Željko, Šindler-Kulyk, Marija, Eckert-Maksić, Mirjana, Margetić, Davor

Journal:

Organic & Biomolecular Chemistry

Year:

2011

Language:

english

File:

PDF, 482 KB

english, 2011

33

The exploration of hydrogen bonding properties of 2,6- and 3,5-diethynylpyridine by IR spectroscopy

Vojta, Danijela, Kovačević, Goran, Vazdar, Mario

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

34

The nonadiabatic deactivation paths of pyrrole

Barbatti, Mario, Vazdar, Mario, Aquino, Adélia J. A., Eckert-Maksić, Mirjana, Lischka, Hans

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 667 KB

english, 2006

35

Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

Pokorna, Sarka, Jurkiewicz, Piotr, Vazdar, Mario, Cwiklik, Lukasz, Jungwirth, Pavel, Hof, Martin

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1007 KB

english, 2014

36

Overcharging in Biological Systems: Reversal of Electrophoretic Mobility of Aqueous Polyaspartate by Multivalent Cations

Kubíčková, Anna, Křížek, Tomáš, Coufal, Pavel, Vazdar, Mario, Wernersson, Erik, Heyda, Jan, Jungwirth, Pavel

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 368 KB

english, 2012

37

Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole

Faraji, S., Vazdar, M., Reddy, V. Sivaranjana, Eckert-Maksic, M., Lischka, H., Köppel, H.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 836 KB

english, 2011

38

[IEEE 2010 14th International Power Electronics and Motion Control Conference (EPE/PEMC 2010) - Ohrid, Macedonia (2010.09.6-2010.09.8)] Proceedings of 14th International Power Electronics and Motion Control Conference EPE-PEMC 2010 - Calculation of unbalanced magnetic pull in a salient-pole synchronous generator

Zarko, Damir, Ban, Drago, Vazdar, Ivan, Jaric, Vladimir

Year:

2010

Language:

english

File:

PDF, 1.53 MB

english, 2010

39

Aircraft switchgear

Vazdar, Mario, Mitchell, Anthony S., Warrener, Ronald N., Margetić, Davor

Journal:

Journal of the Institution of Electrical Engineers

Year:

1956

Language:

english

File:

PDF, 617 KB

english, 1956

40

High pressure promoted exchange of guests from hemicarceplexes

Vazdar, Mario, Mitchell, Anthony S., Warrener, Ronald N., Margetić, Davor

Journal:

Year:

2015

Language:

english

File:

PDF, 710 KB

english, 2015

41

Sehr starke Organosuperbasen durch Verknüpfung von Imidazol- und Guanidinbasen - Synthese, Struktur und Basizität

Vazdar, Katarina, Kunetskiy, Roman, Saame, Jaan, Kaupmees, Karl, Leito, Ivo, Jahn, Ullrich

Journal:

Angewandte Chemie

Year:

2014

Language:

german

File:

PDF, 397 KB

german, 2014

42

Ab Initio Study of the Reaction of Ozone with Bromide Ion

Gladich, Ivan, Francisco, Joseph S., Buszek, Robert J., Vazdar, Mario, Carignano, Marcelo A., Shepson, Paul B.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.43 MB

english, 2015

43

Cholesterol under oxidative stress—How lipid membranes sense oxidation as cholesterol is being replaced by oxysterols

Kulig, Waldemar, Olżyńska, Agnieszka, Jurkiewicz, Piotr, Kantola, Anu M., Komulainen, Sanna, Manna, Moutusi, Pourmousa, Mohsen, Vazdar, Mario, Cwiklik, Lukasz, Rog, Tomasz, Khelashvili, George, Harrie

Journal:

Free Radical Biology and Medicine

Year:

2015

Language:

english

File:

PDF, 2.41 MB

english, 2015

44

Recombinant Factor VIIa in the Treatment of Hemostatic Disorders in Patients with Solid Tumors

D. Šturm, L. Vazdar, D. Bagatin, K. Šakić, Z. Hrgovic

Year:

2011

Language:

english

File:

PDF, 90 KB

english, 2011

45

Synthesis of new 2-aminoimidazolones with antiproliferative activity via base promoted amino-β-lactam rearrangement

Dražić, Tonko, Vazdar, Katarina, Vazdar, Mario, Đaković, Marijana, Mikecin, Ana-Matea, Kralj, Marijeta, Malnar, Martina, Hećimović, Silva, Habuš, Ivan

Journal:

Year:

2015

Language:

english

File:

PDF, 1.98 MB

english, 2015

46

The molecular mechanism behind reactive aldehyde action on transmembrane translocations of proton and potassium ions

Jovanovic, Olga, Pashkovskaya, Alina A., Annibal, Andrea, Vazdar, Mario, Burchardt, Nadine, Sansone, Anna, Gille, Lars, Fedorova, Maria, Ferreri, Carla, Pohl, Elena E.

Journal:

Free Radical Biology and Medicine

Year:

2015

Language:

english

File:

PDF, 1.70 MB

english, 2015

47

A computational study of regioselectivity in β-lactam iminothiazolidinone formation

Vazdar, Katarina, Vazdar, Mario

Journal:

Tetrahedron Letters

Year:

2015

Language:

english

File:

PDF, 773 KB

english, 2015

48

Guanidinium Pairing Facilitates Membrane Translocation

Allolio, Christoph, Baxova, Katarina, Vazdar, Mario, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 2.95 MB

english, 2015

49

Temperature-induced release of crystal water in the Co, Mo and Pt complexes of N,N-diacetatedithiocarbamate. FTIR spectroscopy and quantum chemical study

Vojta, Danijela, Višnjevac, Aleksandar, Leka, Zorica, Kosović, Milica, Vazdar, Mario

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.76 MB

english, 2016

50

Unraveling the weak hydrogen bonds of ethynylpyridines and ethynylbenzene with trimethylphosphate — A combined FT-Raman spectroscopic and quantum-chemical study

Vojta, Danijela, Horvat, Tomislav, Miljanić, Snežana, Vazdar, Mario

Journal:

Journal of Molecular Liquids

Year:

2016

Language:

english

File:

PDF, 1.44 MB

english, 2016

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