Supplementary data for the article: Peng, Q.; Wang, Z.; Zarić, S. D.; Brothers, E. N.; Hall, M. B. Unraveling the Role of a Flexible Tetradentate Ligand in the Aerobic Oxidative Carbon-Carbon Bond Formation with Palladium Complexes: A Computational Mechanistic Study. Journal of the American Chemical Society 2018, 140 (11), 3929–3939. https://doi.org/10.1021/jacs.7b11701

Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087

Džambaski, Zdravko
Marković, Rade
Kleinpeter, Erich
Baranac-Stojanović, Marija

January 2013

Supplementary material for: [https://doi.org/10.1016/j.tet.2013.05.087]Related to published version:...

Supplementary data for article: Aleksić, J.; Stojanović, M.; Baranac-Stojanović, M. Origin of Fluorine/Sulfur Gauche Effect of β-Fluorinated Thiol, Sulfoxide, Sulfone, and Thionium Ion. Journal of Organic Chemistry 2015, 80 (20), 10197–10207. https://doi.org/10.1021/acs.joc.5b01779

Aleksić, Jovana
Stojanović, Milovan
Baranac-Stojanović, Marija

January 2015

Supporting information for: [https://doi.org/10.1021/acs.joc.5b01779]Related to published version: [...

Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane : synthetic, structural, and computational studies

Surgenor, Brian Andrew
Chalmers, Brian Alexander
Athukorala Arachchige, Kasun Sankalpa
Slawin, Alexandra Martha Zoya
Woollins, J Derek
Buehl, Michael
Kilian, Petr

April 2016

The authors thank the EaStChem, EPSRC, and the COST actions CM0802 PhoSciNet and CM1302 SIPs for fin...

Supplementary data for the article: Čobeljić, B.; Pevec, A.; Stepanović, S.; Spasojević, V.; Milenković, M.; Turel, I.; Swart, M.; Gruden-Pavlović, M.; Adaila, K.; Anelković, K. Experimental and Theoretical Investigation of Octahedral and Square-Planar Isothiocyanato Complexes of Ni(II) with Acylhydrazones of 2-(Diphenylphosphino)Benzaldehyde. Polyhedron 2015, 89, 271–279. https://doi.org/10.1016/j.poly.2015.01.024

Čobeljić, Božidar
Pevec, Andrej
Stepanović, Stepan
Spasojević, Vojislav
Milenković, Milica R.
Turel, Iztok
Swart, Marcel
Gruden-Pavlović, Maja
Adaila, Kawther
Anđelković, Katarina K.

January 2015

Supplementary material for: [https://doi.org/10.1016/j.poly.2015.01.024]Related to published version...

Supplementary data for article: Todorovic, T.; Grubišic, S.; Pregelj, M.; Jagodič, M.; Misirlic-Denčic, S.; Dulovic, M.; Markovic, I.; Klisuric, O.; Maleševic, A.; Mitic, D.; et al. Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear CuII Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. European Journal of Inorganic Chemistry 2015, 2015 (23), 3921–3931. https://doi.org/10.1002/ejic.201500349

Todorović, Tamara
Grubišić, Sonja
Pregelj, Matej
Jagodić, Marko
Misirlić-Denčić, Sonja
Dulović, Marija
Marković, Ivanka
Klisurić, Olivera
Malešević, Aleksandar
Mitić, Dragana
Anđelković, Katarina K.
Filipović, Nenad R.

January 2015

Supporting information for: [https://doi.org/10.1002/ejic.201500349]Related to published version: [h...

Supplementary data for article: Marković, V.; Markovic, S.; Janicijevic, A.; Rodić, M.; Leovac, V. M.; Todorović, N.; Trifunović, S. S.; Joksović, M. D. Mechanistic Investigation and DFT Calculation of the New Reaction between S-Methylisothiosemicarbazide and Methyl Acetoacetate. Structural Chemistry 2013, 24 (6), 2127–2136. https://doi.org/10.1007/s11224-013-0223-3

Marković, Violeta
Marković, Svetlana
Janićijević, Ana
Rodić, Marko
Leovac, Vukadin M.
Todorović, Nina
Trifunović, Snežana S.
Joksović, Milan D.

January 2013

Supplementary material for: [https://doi.org/10.1007/s11224-013-0223-3]Related to published version:...

Ligand Lone-Pair Influence on Hydrocarbon C-H Activation: A Computational Perspective

Ess, Daniel H.
Gunnoe, T. Brent
Cundari, Thomas R.
Goddard, William A., III
Periana, Roy A.

December 2010

Mid to late transition metal complexes that break hydrocarbon C-H bonds by transferring the hydrogen...

On the inter-ring torsion potential of regioregular P3HT: a first principles reexamination with explicit side chains

Baggioli, Alberto
Famulari, Antonino

January 2014

Poly(3-alkylthiophene) is a family of conjugated semicrystalline polymers for organic electronic app...

Supplementary data for article: Baranac-Stojanović, M.; Stojanović, M. H-1 NMR Chemical Shifts of Cyclopropane and Cyclobutane: A Theoretical Study. Journal of Organic Chemistry 2013, 78 (4), 1504–1507. https://doi.org/10.1021/jo3025863

Baranac-Stojanović, Marija
Stojanović, Milovan

January 2013

Supporting information for: [https://doi.org/10.1021/jo3025863]Related to published version: [http:/...

Supplementary data for the article: Kasalović, M. P.; Petrović, A.; Živković, J. M.; Kuckling, L.; Jevtić, V. V.; Bogojeski, J.; Leka, Z. B.; Trifunović, S. R.; Pantelić, N. Đ. Evaluation of DNA/BSA Interactions and DFT Calculations of Gold(III), Zinc(II) and Palladium(II) Complexes with Triammonium N-Dithiocarboxyiminodiacetate. Journal of Molecular Structure 2021, 1229, 129622. https://doi.org/10.1016/j.molstruc.2020.129622.

Kasalović, Marijana P.
Petrović, Angelina
Živković, Jelena M.
Kuckling, Linus
Jevtić, Verica V.
Bogojeski, Jovana
Leka, Zorica B.
Trifunović, Srećko R.
Pantelić, Nebojša Đ.

January 2021

Supplementary material for: [https://doi.org/10.1016/j.molstruc.2020.129622]Related to published ver...

Supplementary data for the article: Stojanović, M.; Baranac-Stojanović, M. A Theoretical Study on Borenium Ion Affinities toward Ammonia, Formaldehyde and Chloride Anions. RSC Advances 2015, 5 (93), 75895–75910. https://doi.org/10.1039/c5ra13825f

Stojanović, Milovan
Baranac-Stojanović, Marija

January 2015

Supplementary material for: [https://doi.org/10.1039/c5ra13825f]Related to published version: [http:...

Pd-Mediated Activation of Molecular Oxygen in a Nonpolar Medium

Keith, Jason M.
Nielsen, Robert J.
Oxgaard, Jonas
Goddard, William A., III

September 2005

The mechanism for direct insertion of O_2 in a toluene-solvated palladium−hydride bond (avoiding pal...

Supplementary data for article: Baranac-Stojanović, M.; Stojanović, M. Magnetic Anisotropy of the C-C Single Bond. Chemistry. A European Journal 2013, 19 (13), 4249–4254. https://doi.org/10.1002/chem.201204267

Baranac-Stojanović, Marija
Stojanović, Milovan

January 2013

Supporting information for: [https://doi.org/10.1002/chem.201204267]Related to published version: [h...

Supplementary data for article: Cvijetić, I.; Vitorović-Todorović, M. D.; Juranić, I. O.; Drakulić, B. J. Reactivity of (E)-4-Aryl-4-Oxo-2-Butenoic Acid Arylamides toward 2-Mercaptoethanol. A LFER Study. Monatshefte Fur Chemie 2013, 144 (12), 1815–1824. https://doi.org/10.1007/s00706-013-1084-6

Cvijetić, Ilija
Vitorović-Todorović, Maja D.
Juranić, Ivan O.
Drakulić, Branko J.

January 2013

Supplementary material for: [https://doi.org/10.1007/s00706-013-1084-6]Related to published version:...

Ultrafast IR spectroscopy of photo-induced electron transfer in self-assembled donor-acceptor coordination cages.

Ahrens, J.
Frank, M.
Clever, G.
Schwarzer, D.

May 2017

Photo-induced processes in self-assembled coordination cages were studied by femtosecond infrared pu...

Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087

Džambaski, Zdravko
Marković, Rade
Kleinpeter, Erich
Baranac-Stojanović, Marija

January 2013

Supplementary material for: [https://doi.org/10.1016/j.tet.2013.05.087]Related to published version:...

Supplementary data for article: Aleksić, J.; Stojanović, M.; Baranac-Stojanović, M. Origin of Fluorine/Sulfur Gauche Effect of β-Fluorinated Thiol, Sulfoxide, Sulfone, and Thionium Ion. Journal of Organic Chemistry 2015, 80 (20), 10197–10207. https://doi.org/10.1021/acs.joc.5b01779

Aleksić, Jovana
Stojanović, Milovan
Baranac-Stojanović, Marija

January 2015

Supporting information for: [https://doi.org/10.1021/acs.joc.5b01779]Related to published version: [...

Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane : synthetic, structural, and computational studies

Surgenor, Brian Andrew
Chalmers, Brian Alexander
Athukorala Arachchige, Kasun Sankalpa
Slawin, Alexandra Martha Zoya
Woollins, J Derek
Buehl, Michael
Kilian, Petr

April 2016

The authors thank the EaStChem, EPSRC, and the COST actions CM0802 PhoSciNet and CM1302 SIPs for fin...

Supplementary data for the article: Čobeljić, B.; Pevec, A.; Stepanović, S.; Spasojević, V.; Milenković, M.; Turel, I.; Swart, M.; Gruden-Pavlović, M.; Adaila, K.; Anelković, K. Experimental and Theoretical Investigation of Octahedral and Square-Planar Isothiocyanato Complexes of Ni(II) with Acylhydrazones of 2-(Diphenylphosphino)Benzaldehyde. Polyhedron 2015, 89, 271–279. https://doi.org/10.1016/j.poly.2015.01.024

Čobeljić, Božidar
Pevec, Andrej
Stepanović, Stepan
Spasojević, Vojislav
Milenković, Milica R.
Turel, Iztok
Swart, Marcel
Gruden-Pavlović, Maja
Adaila, Kawther
Anđelković, Katarina K.

January 2015

Supplementary material for: [https://doi.org/10.1016/j.poly.2015.01.024]Related to published version...

Supplementary data for article: Todorovic, T.; Grubišic, S.; Pregelj, M.; Jagodič, M.; Misirlic-Denčic, S.; Dulovic, M.; Markovic, I.; Klisuric, O.; Maleševic, A.; Mitic, D.; et al. Structural, Magnetic, DFT, and Biological Studies of Mononuclear and Dinuclear CuII Complexes with Bidentate N-Heteroaromatic Schiff Base Ligands. European Journal of Inorganic Chemistry 2015, 2015 (23), 3921–3931. https://doi.org/10.1002/ejic.201500349

Todorović, Tamara
Grubišić, Sonja
Pregelj, Matej
Jagodić, Marko
Misirlić-Denčić, Sonja
Dulović, Marija
Marković, Ivanka
Klisurić, Olivera
Malešević, Aleksandar
Mitić, Dragana
Anđelković, Katarina K.
Filipović, Nenad R.

January 2015

Supporting information for: [https://doi.org/10.1002/ejic.201500349]Related to published version: [h...

Supplementary data for article: Marković, V.; Markovic, S.; Janicijevic, A.; Rodić, M.; Leovac, V. M.; Todorović, N.; Trifunović, S. S.; Joksović, M. D. Mechanistic Investigation and DFT Calculation of the New Reaction between S-Methylisothiosemicarbazide and Methyl Acetoacetate. Structural Chemistry 2013, 24 (6), 2127–2136. https://doi.org/10.1007/s11224-013-0223-3

Marković, Violeta
Marković, Svetlana
Janićijević, Ana
Rodić, Marko
Leovac, Vukadin M.
Todorović, Nina
Trifunović, Snežana S.
Joksović, Milan D.

January 2013

Supplementary material for: [https://doi.org/10.1007/s11224-013-0223-3]Related to published version:...

Ligand Lone-Pair Influence on Hydrocarbon C-H Activation: A Computational Perspective

Ess, Daniel H.
Gunnoe, T. Brent
Cundari, Thomas R.
Goddard, William A., III
Periana, Roy A.

December 2010

Mid to late transition metal complexes that break hydrocarbon C-H bonds by transferring the hydrogen...

On the inter-ring torsion potential of regioregular P3HT: a first principles reexamination with explicit side chains

Baggioli, Alberto
Famulari, Antonino

January 2014

Poly(3-alkylthiophene) is a family of conjugated semicrystalline polymers for organic electronic app...

Supplementary data for article: Baranac-Stojanović, M.; Stojanović, M. H-1 NMR Chemical Shifts of Cyclopropane and Cyclobutane: A Theoretical Study. Journal of Organic Chemistry 2013, 78 (4), 1504–1507. https://doi.org/10.1021/jo3025863

Baranac-Stojanović, Marija
Stojanović, Milovan

January 2013

Supporting information for: [https://doi.org/10.1021/jo3025863]Related to published version: [http:/...

Supplementary data for the article: Kasalović, M. P.; Petrović, A.; Živković, J. M.; Kuckling, L.; Jevtić, V. V.; Bogojeski, J.; Leka, Z. B.; Trifunović, S. R.; Pantelić, N. Đ. Evaluation of DNA/BSA Interactions and DFT Calculations of Gold(III), Zinc(II) and Palladium(II) Complexes with Triammonium N-Dithiocarboxyiminodiacetate. Journal of Molecular Structure 2021, 1229, 129622. https://doi.org/10.1016/j.molstruc.2020.129622.

Kasalović, Marijana P.
Petrović, Angelina
Živković, Jelena M.
Kuckling, Linus
Jevtić, Verica V.
Bogojeski, Jovana
Leka, Zorica B.
Trifunović, Srećko R.
Pantelić, Nebojša Đ.

January 2021

Supplementary material for: [https://doi.org/10.1016/j.molstruc.2020.129622]Related to published ver...

Supplementary data for the article: Stojanović, M.; Baranac-Stojanović, M. A Theoretical Study on Borenium Ion Affinities toward Ammonia, Formaldehyde and Chloride Anions. RSC Advances 2015, 5 (93), 75895–75910. https://doi.org/10.1039/c5ra13825f

Stojanović, Milovan
Baranac-Stojanović, Marija

January 2015

Supplementary material for: [https://doi.org/10.1039/c5ra13825f]Related to published version: [http:...

Pd-Mediated Activation of Molecular Oxygen in a Nonpolar Medium

Keith, Jason M.
Nielsen, Robert J.
Oxgaard, Jonas
Goddard, William A., III

September 2005

The mechanism for direct insertion of O_2 in a toluene-solvated palladium−hydride bond (avoiding pal...

Supplementary data for article: Baranac-Stojanović, M.; Stojanović, M. Magnetic Anisotropy of the C-C Single Bond. Chemistry. A European Journal 2013, 19 (13), 4249–4254. https://doi.org/10.1002/chem.201204267

Baranac-Stojanović, Marija
Stojanović, Milovan

January 2013

Supporting information for: [https://doi.org/10.1002/chem.201204267]Related to published version: [h...

Supplementary data for article: Cvijetić, I.; Vitorović-Todorović, M. D.; Juranić, I. O.; Drakulić, B. J. Reactivity of (E)-4-Aryl-4-Oxo-2-Butenoic Acid Arylamides toward 2-Mercaptoethanol. A LFER Study. Monatshefte Fur Chemie 2013, 144 (12), 1815–1824. https://doi.org/10.1007/s00706-013-1084-6

Cvijetić, Ilija
Vitorović-Todorović, Maja D.
Juranić, Ivan O.
Drakulić, Branko J.

January 2013

Supplementary material for: [https://doi.org/10.1007/s00706-013-1084-6]Related to published version:...

Ultrafast IR spectroscopy of photo-induced electron transfer in self-assembled donor-acceptor coordination cages.

Ahrens, J.
Frank, M.
Clever, G.
Schwarzer, D.

May 2017

Photo-induced processes in self-assembled coordination cages were studied by femtosecond infrared pu...

Supplementary data for article: Džambaski, Z.; Markovic, R.; Kleinpeter, E.; Baranac-Stojanović, M. 2-Alkylidene-4-Oxothiazolidine S-Oxides: Synthesis and Stereochemistry. Tetrahedron 2013, 69 (31), 6436–6447. https://doi.org/10.1016/j.tet.2013.05.087

Džambaski, Zdravko
Marković, Rade
Kleinpeter, Erich
Baranac-Stojanović, Marija

January 2013

Supplementary material for: [https://doi.org/10.1016/j.tet.2013.05.087]Related to published version:...

Supplementary data for article: Aleksić, J.; Stojanović, M.; Baranac-Stojanović, M. Origin of Fluorine/Sulfur Gauche Effect of β-Fluorinated Thiol, Sulfoxide, Sulfone, and Thionium Ion. Journal of Organic Chemistry 2015, 80 (20), 10197–10207. https://doi.org/10.1021/acs.joc.5b01779

Aleksić, Jovana
Stojanović, Milovan
Baranac-Stojanović, Marija

January 2015

Supporting information for: [https://doi.org/10.1021/acs.joc.5b01779]Related to published version: [...

Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane : synthetic, structural, and computational studies

Surgenor, Brian Andrew
Chalmers, Brian Alexander
Athukorala Arachchige, Kasun Sankalpa
Slawin, Alexandra Martha Zoya
Woollins, J Derek
Buehl, Michael
Kilian, Petr

April 2016

The authors thank the EaStChem, EPSRC, and the COST actions CM0802 PhoSciNet and CM1302 SIPs for fin...

Abstract

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Abstract

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