Search filters

List of works by Mariusz P Mitoraj

1,3 Geminal interactions as the possible trend setting factors for C-H and C-C bond energies in alkanes. Support from a density functional theory based bond energy decomposition study

scientific article published on 01 November 2006

A coumarin-based "turn-on" fluorescent sensor for the determination of Al3+: single crystal X-ray structure and cell staining properties.

scientific article

Alternative Route Toward Nitrones: Experimental and Theoretical Findings

scientific article published on 17 January 2017

An anion induced multisignaling probe for Hg(2+) and its application for fish kidney and liver tissue imaging studies

scientific article published on July 2015

Applications of natural orbitals for chemical valence in a description of bonding in conjugated molecules

scientific article

Binding of polar monomers in the complexes with organometallic ethylene polymerization catalysts — Natural orbitals for chemical valence and energy decomposition analysis

Bond orbitals from chemical valence theory

scientific article published on 12 February 2008

CdS Nanoparticles Fabricated from the Single-Source Precursor [Cd{Et2NC(S)NP(S)(OiPr)2}2]: In Depth Experimental and Theoretical Studies

scientific article published on 23 May 2016

Complexation properties of N-thiophosphorylated thiourea 2-PyNHC(S)NHP(S)(OiPr)2 towards Ni(II).

scientific article published on 8 March 2013

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

DFT studies on isomerization reactions in the copolymerization of ethylene and methyl acrylate catalyzed by Ni-diimine and Pd-diimine complexes

scientific article published on 4 May 2005

ETS-NOCV description of σ-hole bonding ⬇️

scientific article published on September 30, 2012

Electronic view on ethene adsorption in Cu(I) exchanged zeolites

scientific article published on 19 January 2010

Exploring a reaction mechanism for acetato ligand replacement in paddlewheel tetrakisacetatodirhodium (II,II) complex by ammonia: computational density functional theory study

scientific article published on 13 January 2011

Extended lead(ii) architectures engineered via tetrel bonding interactions

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

scientific article published on 07 November 2019

Half-Metallocene Titanium(IV) Phenyl Phenoxide for High Temperature Olefin Polymerization: Ortho-Substituent Effect at Ancillaryo-Phenoxy Ligand for Enhanced Catalytic Performance

scholarly article by Tae-Jin Kim et al published 22 September 2009 in Macromolecules

Influence of CH2Cl2for the structure stabilization of the NiIIcomplex [Ni{6-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2-1,5-S,S′}2]·CH2Cl2

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

scientific article published in October 2015

Intramolecular hydrogen bonding controls 1,3-N,S- vs. 1,5-S,S′-coordination in NiII complexes of N-thiophosphorylated thioureas RNHC(S)NHP(S)(OiPr)2

scientific article published on 18 February 2011

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

scientific article published on 15 May 2019

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

scientific article published on 05 August 2020

Ligand-Driven Coordination Sphere-Induced Engineering of Hybride Materials Constructed from PbCl2 and Bis-Pyridyl Organic Linkers for Single-Component Light-Emitting Phosphors.

scientific article published on 28 July 2017

Metal ion influences distortion of the ligand in the structure of [M{2-MeO(O)CC6H4NHC(S)NP(S)(OiPr)2}2] (M = Zn(II), Cd(II)) complexes: a driving force for intermolecular aggregation

scientific article

Multiple Boron−Boron Bonds in Neutral Molecules: An Insight from the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme ⬇️

scientific article published on February 11, 2011

Natural orbitals for chemical valence as descriptors of chemical bonding in transition metal complexes

scientific article published on 21 September 2006

Nature of Beryllium, Magnesium, and Zinc Bonds in Carbene⋯MX2 (M = Be, Mg, Zn; X = H, Br) Dimers Revealed by the IQA, ETS-NOCV and LED Methods

scientific article published on 24 November 2022

Nature of the water/aromatic parallel alignment interactions

scientific article published on 13 November 2014

Nucleic Acid Quadruplexes Based on 8-Halo-9-deazaxanthines: Energetics and Noncovalent Interactions in Quadruplex Stems

article

On the origin of internal rotation in ammonia borane

scientific article

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

scientific article published on 14 February 2020

Origin of Remarkably Different Acidity of Hydroxycoumarins-Joint Experimental and Theoretical Studies

scientific article published on 13 April 2017

Palladium catalysts for dehydrogenation of ammonia borane with preferential B-H activation

scientific article published on 01 July 2010

Photobleaching of pheomelanin increases its phototoxic potential: Physicochemical studies of synthetic pheomelanin subjected to aerobic photolysis

scientific article published on 11 December 2018

Polar protic solvent-trapping polymorphism of the HgII-hydrazone coordination polymer: experimental and theoretical findings

QTAIM and ETS-NOCV analyses of intramolecular CH···HC interactions in metal complexes

scientific article published in August 2011

Quasi-aromatic Möbius Metal Chelates.

scientific article published on 27 March 2018

Role of Ancillary Ligands in a Description of Copper(I)−Bis(trimethylsilyl)acetylene bonding. A Theoretical Study

scholarly article by Monika Srebro & Mariusz Mitoraj published 13 July 2009 in Organometallics

Solvent-induced 1,3-N,S- vs. 1,5-S,S′-coordination in the NiII complex [Ni{p-Me2NC6H4NHC(S)NP(S)(OiPr)2}2]

Sterically less-hindered half-titanocene(IV) phenoxides: ancillary-ligand effect on mono-, bis-, and tris(2-alkyl-/arylphenoxy) titanium(IV) chloride complexes

scientific article published in May 2010

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

scientific article published on 24 December 2019

Supramolecular Coordination Complexes of theN-Thiophosphorylated 2,5-Dithiobiurea [NHC(S)NHP(S)(OiPr)2]2with ZnIIand CdIIIons - Cation-Induced Dinuclear Mesocate Structure versus Tetranuclear Nanoscaled Aggregate

Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme†

article

Theoretical description of bonding in cis-W(CO)(4)(piperidine)(2) and its dimer.

scientific article published on 15 July 2009

Theoretical description of halogen bonding – an insight based on the natural orbitals for chemical valence combined with the extended-transition-state method (ETS-NOCV) ⬇️

scientific article published on 06 June 2012

Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals for chemical valence (ETS-NOCV).

scientific article published on 28 May 2010

Thermodynamics of acid-base dissociation of several cathinones and 1-phenylethylamine, studied by an accurate capillary electrophoresis method free from the Joule heating impact

scientific article published on 3 February 2018

σ-Donor and π-Acceptor Properties of Phosphorus Ligands: An Insight from the Natural Orbitals for Chemical Valence

scientific article published on 01 January 2010

Paulina is supported by:

About Paulina

Help