M. Srebro

发表

Does a Molecule-Specific Density Functional Give an Accurate Electron Density? The Challenging Case of the CuCl Electric Field Gradient.

J. Autschbach, M. Srebro, 2012, The journal of physical chemistry letters.

Straightforward access to mono- and bis-cycloplatinated helicenes displaying circularly polarized phosphorescence by using crystallization resolution methods

Kirandeep K. Deol, J. Autschbach, R. Réau, 2014 .

Ruthenium-vinylhelicenes: remote metal-based enhancement and redox switching of the chiroptical properties of a helicene core.

J. Autschbach, R. Réau, L. Toupet, 2012, Journal of the American Chemical Society.

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

A. Michalak, M. Srebro, M. Mitoraj, 2009 .

Crucial influence of the intramolecular hydrogen bond on the coordination mode of RC(S)NHP(S)(OiPr)2 in homoleptic complexes with Ni II

Y. Garcia, M. Mitoraj, M. G. Babashkina, 2013 .

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

M. Mitoraj, M. G. Babashkina, D. Safin, 2011, Dalton transactions.

Acid/base-triggered switching of circularly polarized luminescence and electronic circular dichroism in organic and organometallic helicenes.

Kirandeep K. Deol, J. Autschbach, N. Saleh, 2015, Chemistry.

Assembly of helicene-capped N,P,N,P,N-helicands within Cu(I) helicates: impacting chiroptical properties by ligand-ligand charge transfer.

J. Autschbach, R. Réau, N. Vanthuyne, 2013, Angewandte Chemie.

Helicene-grafted vinyl- and carbene-osmium complexes: an example of acid-base chiroptical switching.

J. Autschbach, R. Réau, L. Toupet, 2014, Chemical communications.

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

Minserk Cheong, S. Kang, B. Kim, 2010, Chemistry.

Conformational Stability and Spin States of Cobalt(II) Acetylacetonate: CASPT2 and DFT Study.

M. Radoń, E. Broclawik, M. Srebro, 2009, Journal of chemical theory and computation.

Ruthenium-Grafted Vinylhelicenes: Chiroptical Properties and Redox Switching.

J. Autschbach, R. Réau, N. Vanthuyne, 2015, Chemistry.

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

Y. Garcia, M. Mitoraj, M. G. Babashkina, 2012 .

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]

Y. Garcia, M. Mitoraj, M. G. Babashkina, 2011 .

Computational analysis of (47/49)Ti NMR shifts and electric field gradient tensors of half-titanocene complexes: structure-bonding-property relationships.

J. Autschbach, M. Srebro, 2013, Chemistry.

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

Minserk Cheong, J. Ko, S. Kang, 2009 .

Diastereo- and enantioselective synthesis of organometallic bis(helicene)s by a combination of C-H activation and dynamic isomerization.

J. Autschbach, R. Réau, L. Toupet, 2013, Chemistry.

On preference of insertion mechanism in the ethylene polymerization catalyzed by half-titanocene complexes with aryloxy ligands: Static and dynamic theoretical studies

Minserk Cheong, S. Kang, A. Michalak, 2010 .

Optical rotation calculated with time-dependent density functional theory: the OR45 benchmark.

N. Govind, W. D. de Jong, J. Autschbach, 2011, The journal of physical chemistry. A.

Spin ground state and magnetic properties of cobalt(II): relativistic DFT calculations guided by EPR measurements of bis(2,4-acetylacetonate)cobalt(II)-based complexes.

M. Radoń, A. Michalak, P. Pietrzyk, 2011, The journal of physical chemistry. A.

On the nature of Ni···Ni interaction in a model dimeric Ni complex.

A. Pietrzykowski, K. Woźniak, A. Michalak, 2011, Physical chemistry chemical physics : PCCP.

Unravelling the structure of Magnus' pink salt.

J. Hanson, S. Senanayake, Bryan E. G. Lucier, 2014, Journal of the American Chemical Society.

Chiroptical properties of carbo[6]helicene derivatives bearing extended π-conjugated cyano substituents.

J. Autschbach, N. Vanthuyne, C. Roussel, 2013, Chirality.

Applications of the ETS-NOCV method in descriptions of chemical reactions

Michal K. Handzlik, M. Mitoraj, A. Michalak, 2011, Journal of molecular modeling.

Analysis of Optical Activity in Terms of Bonds and Lone-Pairs: The Exceptionally Large Optical Rotation of Norbornenone.

J. Autschbach, M. Srebro, Barry Moore, 2012, Journal of chemical theory and computation.

Tuned Range-Separated Time-Dependent Density Functional Theory Applied to Optical Rotation.

J. Autschbach, M. Srebro, 2012, Journal of chemical theory and computation.

Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties.

Monika Srebro, Jochen Autschbach, J. Autschbach, 2014, Accounts of chemical research.

Giant Faraday Rotation in Mesogenic Organic Molecules

Gunther Hennrich, Koen Clays, Ventsislav K. Valev, 2013 .

enantio-Enriched CPL-active helicene-bipyridine-rhenium complexes.

Nidal Saleh, Monika Srebro, Thibault Reynaldo, 2015, Chemical communications.

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

I. Cukrowski, K. Govender, M. Mitoraj, 2011, The journal of physical chemistry. A.

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

M. Mitoraj, M. Srebro, 2009 .

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

Z. Futera, J. Leszczynski, M. Mitoraj, 2011, Journal of Physical Chemistry A.