Works by Mitoraj, Mariusz P.

Results: 16

Formation of active species from ruthenium alkylidene catalysts—an insight from computational perspective.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 11, p. N.PAG, doi. 10.1007/s00894-019-4202-5

By:

Śliwa, Paweł;
Mitoraj, Mariusz P.;
Sagan, Filip;
Handzlik, Jarosław

Publication type:

Article

N‐Thiophosphorylthioureas RNHC(S)NHP(S)(OiPr)2 as an Excellent Platform for Studying the Synergy between Hydrogen‐Hydrogen Bonding and Other Families of Non‐Covalent Interactions.

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 2/3, p. 493, doi. 10.1002/ejoc.201801041

By:

Mitoraj, Mariusz P.;
Sagan, Filip;
Babashkina, Maria G.;
Isaev, Alexey Y.;
Chichigina, Yana M.;
Safin, Damir A.

Publication type:

Article

Theoretical Description of Hydride‐hydride Interactions in Selected Hydrogen Storage Materials.

Published in:

ChemPhysChem, 2024, v. 25, n. 23, p. 1, doi. 10.1002/cphc.202400668

By:

Ptaszek, Aleksandra L.;
Sagan, Filip;
Filas, Radosław;
Kubisiak, Piotr;
Mitoraj, Mariusz P.

Publication type:

Article

Crucial Influence of the Intramolecular Hydrogen Bond on the Coordination Mode of RC(S)NHP(S)(O iPr)2 in Homoleptic Complexes with NiII.

Published in:

European Journal of Inorganic Chemistry, 2013, v. 2013, n. 4, p. 545, doi. 10.1002/ejic.201200890

By:

Babashkina, Maria G.;
Safin, Damir A.;
Srebro, Monika;
Kubisiak, Piotr;
Mitoraj, Mariusz P.;
Bolte, Michael;
Garcia, Yann

Publication type:

Article

Cover Feature: Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers (ChemPhysChem 6/2020).

Published in:

ChemPhysChem, 2020, v. 21, n. 6, p. 467, doi. 10.1002/cphc.202000140

By:

Mitoraj, Mariusz P.;
Sagan, Filip;
Szczepanik, Dariusz W.;
Lange, Jurgens H.;
Ptaszek, Aleksandra L.;
Niekerk, Daniel M. E.;
Cukrowski, Ignacy

Publication type:

Article

Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers.

Published in:

ChemPhysChem, 2020, v. 21, n. 6, p. 494, doi. 10.1002/cphc.202000066

By:

Mitoraj, Mariusz P.;
Sagan, Filip;
Szczepanik, Dariusz W.;
Lange, Jurgens H.;
Ptaszek, Aleksandra L.;
Niekerk, Daniel M. E.;
Cukrowski, Ignacy

Publication type:

Article

Aggregation‐Induced Emission‐Based Sensing Platform for Selective Detection of Zn2+: Experimental and Theoretical Investigations.

Published in:

ChemPhysChem, 2019, v. 20, n. 12, p. 1630, doi. 10.1002/cphc.201900113

By:

Naskar, Barnali;
Dhara, Anamika;
Maiti, Dilip K.;
Kukułka, Mercedes;
Mitoraj, Mariusz P.;
Srebro‐Hooper, Monika;
Prodhan, Chandraday;
Chaudhuri, Keya;
Goswami, Sanchita

Publication type:

Article

Supramolecular Coordination Complexes of the N-Thiophosphorylated 2,5-Dithiobiurea [NHC(S)NHP(S)(O iPr)2]2 with ZnII and CdII Ions - Cation-Induced Dinuclear Mesocate Structure versus Tetranuclear Nanoscaled Aggregate

Published in:

European Journal of Inorganic Chemistry, 2014, v. 2014, n. 32, p. 5522, doi. 10.1002/ejic.201402544

By:

Safin, Damir A.;
Babashkina, Maria G.;
Kubisiak, Piotr;
Mitoraj, Mariusz P.;
Le Duff, Cécile S.;
Robeyns, Koen;
Garcia, Yann

Publication type:

Article

Non-Covalent Interactions in Hydrogen Storage Materials LiN(CH3)2BH3 and KN(CH3)2BH3.

Published in:

Crystals (2073-4352), 2016, v. 6, n. 3, p. 28, doi. 10.3390/cryst6030028

By:

Sagan, Filip;
Filas, Radosław;
Mitoraj, Mariusz P.

Publication type:

Article

Nature of the water/aromatic parallel alignment interactions.

Published in:

Journal of Computational Chemistry, 2015, v. 36, n. 3, p. 171, doi. 10.1002/jcc.23783

By:

Mitoraj, Mariusz P.;
Janjić, Goran V.;
Medaković, Vesna B.;
Veljković, Dušan Ž.;
Michalak, Artur;
Zarić, Snežana D.;
Milčić, Miloš K.

Publication type:

Article

Correction: Mahmoudi et al. Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations. Int. J. Mol. Sci. 2021, 22 , 5337.

Published in:

2022

By:

Mahmoudi, Ghodrat;
Babashkina, Maria G.;
Maniukiewicz, Waldemar;
Afkhami, Farhad Akbari;
Nunna, Bharath Babu;
Zubkov, Fedor I.;
Ptaszek, Aleksandra L.;
Szczepanik, Dariusz W.;
Mitoraj, Mariusz P.;
Safin, Damir A.

Publication type:

Correction Notice

Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations.

Published in:

International Journal of Molecular Sciences, 2021, v. 22, n. 10, p. 5337, doi. 10.3390/ijms22105337

By:

Mahmoudi, Ghodrat;
Babashkina, Maria G.;
Maniukiewicz, Waldemar;
Afkhami, Farhad Akbari;
Nunna, Bharath Babu;
Zubkov, Fedor I.;
Ptaszek, Aleksandra L.;
Szczepanik, Dariusz W.;
Mitoraj, Mariusz P.;
Safin, Damir A.;
Putz, Mihai V.

Publication type:

Article

Influence of the Homopolar Dihydrogen Bonding CH⋅⋅⋅HC on Coordination Geometry: Experimental and Theoretical Studies.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 46, p. 16679, doi. 10.1002/chem.201501499

By:

Safin, Damir A.;
Babashkina, Maria G.;
Robeyns, Koen;
Mitoraj, Mariusz P.;
Kubisiak, Piotr;
Garcia, Yann

Publication type:

Article

On the origin of the trans-influence in square planar d8-complexes: A theoretical study.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3379, doi. 10.1002/qua.21910

By:

Mitoraj, Mariusz P.;
Zhu, Hongjuan;
Michalak, Artur;
Ziegler, Tom

Publication type:

Article

Cover Feature: Resonance Assisted Hydrogen Bonding Phenomenon Unveiled through Both Experiments and Theory: A New Family of Ethyl N‐Salicylideneglycinate Dyes (Chem. Eur. J. 57/2020).

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 57, p. 12901, doi. 10.1002/chem.202002769

By:

Shapenova, Dinara S.;
Shiryaev, Alexey A.;
Bolte, Michael;
Kukułka, Mercedes;
Szczepanik, Dariusz W.;
Hooper, James;
Babashkina, Maria G.;
Mahmoudi, Ghodrat;
Mitoraj, Mariusz P.;
Safin, Damir A.

Publication type:

Article

Resonance Assisted Hydrogen Bonding Phenomenon Unveiled through Both Experiments and Theory: A New Family of Ethyl N‐Salicylideneglycinate Dyes.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 57, p. 12987, doi. 10.1002/chem.202001551

By:

Shapenova, Dinara S.;
Shiryaev, Alexey A.;
Bolte, Michael;
Kukułka, Mercedes;
Szczepanik, Dariusz W.;
Hooper, James;
Babashkina, Maria G.;
Mahmoudi, Ghodrat;
Mitoraj, Mariusz P.;
Safin, Damir A.

Publication type:

Article

Works by Mitoraj, Mariusz P.

Formation of active species from ruthenium alkylidene catalysts—an insight from computational perspective.

N‐Thiophosphorylthioureas RNHC(S)NHP(S)(OiPr)<sub>2</sub> as an Excellent Platform for Studying the Synergy between Hydrogen‐Hydrogen Bonding and Other Families of Non‐Covalent Interactions.

Theoretical Description of Hydride‐hydride Interactions in Selected Hydrogen Storage Materials.

Crucial Influence of the Intramolecular Hydrogen Bond on the Coordination Mode of RC(S)NHP(S)(O iPr)<sub>2</sub> in Homoleptic Complexes with Ni<sup>II</sup>.

Cover Feature: Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers (ChemPhysChem 6/2020).

Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers.

Aggregation‐Induced Emission‐Based Sensing Platform for Selective Detection of Zn<sup>2+</sup>: Experimental and Theoretical Investigations.

Supramolecular Coordination Complexes of the N-Thiophosphorylated 2,5-Dithiobiurea [NHC(S)NHP(S)(O iPr)<sub>2</sub>]<sub>2</sub> with Zn<sup>II</sup> and Cd<sup>II</sup> Ions - Cation-Induced Dinuclear Mesocate Structure versus Tetranuclear Nanoscaled Aggregate

Non-Covalent Interactions in Hydrogen Storage Materials LiN(CH<sub>3</sub>)<sub>2</sub>BH<sub>3</sub> and KN(CH<sub>3</sub>)<sub>2</sub>BH<sub>3</sub>.

Nature of the water/aromatic parallel alignment interactions.

Correction: Mahmoudi et al. Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations. Int. J. Mol. Sci. 2021, 22 , 5337.

Solvent-Induced Formation of Novel Ni(II) Complexes Derived from Bis-Thiosemicarbazone Ligand: An Insight from Experimental and Theoretical Investigations.

Influence of the Homopolar Dihydrogen Bonding CH⋅⋅⋅HC on Coordination Geometry: Experimental and Theoretical Studies.

On the origin of the trans-influence in square planar d<sup>8</sup>-complexes: A theoretical study.

Cover Feature: Resonance Assisted Hydrogen Bonding Phenomenon Unveiled through Both Experiments and Theory: A New Family of Ethyl N‐Salicylideneglycinate Dyes (Chem. Eur. J. 57/2020).

Resonance Assisted Hydrogen Bonding Phenomenon Unveiled through Both Experiments and Theory: A New Family of Ethyl N‐Salicylideneglycinate Dyes.