Projects search

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

Authors:

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

Academic press:

International Journal of Molecular Sciences (year: 2021, volume: 22, pages: 5337-5357), Publisher: MDPI

Status:

Published

DOI:

10.3390/ijms22105337 – link to the publication

London Dispersion Forces in Crystal Packing of Thiourea Derivatives

Authors:

Mariusz P. Mitoraj,* Maria G. Babashkina, Alexey Y. Isaev, Yana M. Chichigina, Koen Robeyns, Yann Garcia, Damir A. Safin

Academic press:

Crystal Growth & Design (ACS) (year: 2018, volume: 18, pages: 5385−5397), Publisher: ACS

Status:

Published

DOI:

10.1021/acs.cgd.8b00783 – link to the publication

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

Authors:

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

Academic press:

Journal of Molecular Modeling (year: 2019, volume: 25, pages: 331-346), Publisher: Springer

Status:

Published

Structural versatility of the quasi-aromatic M¨obius type zinc(II)-pseudohalide complexes – experimental and theoretical investigations

Authors:

Mariusz P. Mitoraj, Farhad Akbari Afkhami, Ghodrat Mahmoudi, Ali Akbar Khandar,Atash V. Gurbanov, Fedor I. Zubkov, Rory Waterman,Maria G. Babashkina,Dariusz W. Szczepanik, Himanshu S. Jena, Damir A. Safin

Academic press:

RSC Adv (year: 2019, volume: 9, pages: 23764–23773), Publisher: Royal Society of Chemistry

Status:

Published

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

Authors:

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

Academic press:

Chem. Eur. J. (year: 2020, volume: 26, pages: 12987 – 12995), Publisher: Wiley

Status:

Published

DOI:

10.1002/chem.202001551 – link to the publication

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

Authors:

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

Academic press:

European Journal of Organic Chemistry (year: 2019, volume: 2019, pages: 493–503), Publisher: Wiley

Status:

Published

DOI:

10.1002/ejoc.201801041 – link to the publication

Theoretical Description of Hydride-hydride Interactions in Selected Hydrogen Storage Materials

Authors:

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

Academic press:

ChemPhysChem (year: 2024, volume: 25, pages: e202400668), Publisher: Wiley

Status:

Published

DOI:

10.1002/cphc.202400668 – link to the publication

An extended supramolecular coordination compound produced from PbCl2 and N′- isonicotinoylpicolinohydrazonamide

Authors:

Isabel Garcia-Santos, Tamara Iglesias-Pereiro,Elena Labisbal,Alfonso Castiñeiras, Bagher Eftekhari-Sis, Ghodrat Mahmoudi,Filip Sagan,Mariusz P. Mitoraj,Damir A. Safin

Academic press:

CrystEngComm (year: 2024, volume: 26, pages: 1252–1260), Publisher: RSC

Status:

Published

DOI:

10.1039/d3ce01066j – link to the publication

Clarifying notes on the bonding analysis adopted by the energy decomposition analysis

Authors:

F. Matthias Bickelhaupt, C. Fonseca Guerra, Mariusz Mitoraj, F. Sagan,Artur Michalak,Sudip Pan, Gernot Frenking

Academic press:

PhysicalChemistryChemicalPhysics-PCCP (year: 2022, volume: 24, pages: 15726–15735), Publisher: RSC

Status:

Published

DOI:

10.1039/d2cp02153f – link to the publication

Lead(II) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features

Authors:

Ghodrat Mahmoudi,Farhad Akbari Afkhami,Alan R. Kennedy,Fedor I. Zubkov,Ennio Zangrando,Alexander M. Kirillov, Elies Molins, Mariusz P. Mitoraj, Damir A. Safin

Academic press:

Dalton Transactions (year: 2020, volume: 49, pages: 11238–11248), Publisher: RSC

Status:

Published

DOI:

10.1039/d0dt01704c – link to the publication

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

Authors:

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

Academic press:

ChemPhysChem (year: 2020, volume: 21, pages: 494 –502), Publisher: Wiley

Status:

Published

DOI:

10.1002/cphc.202000066 – link to the publication

Effect of Solvent on the Structural Diversity of Quasi-Aromatic Möbius Cadmium(II) Complexes Fabricated from the Bulky N6 Tetradentate Helical Ligand

Authors:

Mariusz P. Mitoraj,* Ghodrat Mahmoudi, Farhad Akbari Afkhami, Alfonso Castiñeiras, Gerald Giester, Irina A. Konyaeva, Ali Akbar Khandar, Fengrui Qu,*Arunava Gupta,* Filip Sagan,Dariusz W. Szczepanik, Damir A. Safin

Academic press:

Cryst. Growth Des. (year: 2019, volume: 19, pages: 1649−1659), Publisher: ACS

Status:

Published

DOI:

10.1021/acs.cgd.8b01569 – link to the publication

Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions

Authors:

Alexey A. Shiryaev,Tatyana M. Burkhanova,Mariusz P. Mitoraj,Mercedes Kukulka,Filip Sagan,Ghodrat Mahmoudi,Maria G. Babashkina,Michael Bolte,Damir A. Safin

Academic press:

IUCr (year: 2021, volume: 8, pages: 351–361), Publisher: International Union of Crystallography

Status:

Published

DOI:

10.1107/S2052252521000610 – link to the publication

Substituent Effect on Conformational Preferences in Ground and Excited States of Selected Schiff Bases: An Insight from Theoretical Calculations

Authors:

Mercedes Kukułka, Monika Srebro-Hooper, and Mariusz P. Mitoraj

Academic press:

J. Phys. Chem. A 2020, 124, 63−73 (year: 2020, volume: 124, pages: 63-73), Publisher: ACS

Status:

Published

DOI:

10.1021/acs.jpca.9b10254 – link to the publication

Chameleon-like Nature of Anagostic Interactions and Its Impact on Metalloaromaticity in Square-Planar Nickel Complexes

Authors:

Mariusz P. Mitoraj, Maria G. Babashkina,Koen Robeyns,Filip Sagan,Dariusz W. Szczepanik,Yulia V. Seredina,Yann Garcia,Damir A. Safin

Academic press:

Organometallics (year: 2019, volume: 38, pages: 1973−1981), Publisher: ACS

Status:

Published

DOI:

10.1021/acs.organomet.9b00062 – link to the publication

Cyclodextrin-induced acidity modification of substituted cathinones studied by capillary electrophoresis supported by density functional theory calculations

Authors:

Paweł Mateusz Nowak,∗ Katarzyna Oleseka, Michał Woźniakiewicz, Mariusz Mitoraj,Filip Sagan, Paweł Kościelniak

Academic press:

Journal of Chromatography A (year: 2018, volume: 1580, pages: 142-151), Publisher: Elsevier

Status:

Published

DOI:

10.1016/j.chroma.2018.10.036 – link to the publication

Kinetic and Potential Energy Contributions to a Chemical Bond from the Charge and Energy Decomposition Scheme of Extended Transition State Natural Orbitals for Chemical Valence

Authors:

Filip Sagan, Mariusz P. Mitoraj

Academic press:

The Journal of Physical Chemistry A (year: 2019, volume: 123, pages: 4616−4622), Publisher: ACS

Status:

Published

DOI:

10.1021/acs.jpca.9b01420 – link to the publication

Non-covalent Interactions in Selected Transition Metal Complexes

Authors:

Mitoraj Mariusz Paweł*, Sagan Filip

Book:

Transition Metals in Coordination Environments (year: 2019, volume: brak, pages: 46048), Publisher: Springer

Status:

Published