Publication statistics
year | nr. publ. | nr. #STSM | nr. #OpenAccess |
---|---|---|---|
all years | 234 | 25 | 49 |
2018 | 57 | 5 | 3 |
2017 | 61 | 7 | 15 |
2016 | 60 | 9 | 22 |
2015 | 41 | 4 | 6 |
2014 | 15 | 0 | 3 |
2018
2018.xx.
F. Cimpoesu, T. Spataru, C.M. Buta, H. Borrmann, O.G. Moga, and M. Ferbinteanu
"Spin Coupling and Magnetic Anisotropy in 1D Complexes with Manganese(III) Units and Carboxylate Bridges - Synthesis, Analysis, Calculations, and Models"
Eur. J. Inorg. Chem. 2018, 2018, 1409-1418
[abstract]
DOI: 10.1002/ejic.201800003
2018.xx.
F. Cimpoesu, T. Spataru, C.M. Buta, H. Borrmann, O.G. Moga, and M. Ferbinteanu
"Structural Chemistry: Principles, Methods, and Case Studies"
Springer Verlag, 2018, ISBN 978-3-319-55873-8, 978-3-319-55875-2 (e-Book)
[table of contents]
DOI: 10.1007/978-3-319-55875-2
2018.xx.
G. Li Manni, and A. Alavi
"Understanding the mechanism stabilizing intermediate spin states in Fe(II)-Porphyrin"
J. Phys. Chem. A 2018, [], ASAP-
[abstract]
DOI: 10.1021/acs.jpca.7b12710
2018.xx.
P. Rejmak, J. Datka, and E. Broclawik
"Fine speciation of active sites in zeolites by a CO probe: Dynamics and IR frequencies"
Int J Quantum Chem 2018, [], ASAP
[abstract]
DOI: 10.1002/qua.25625
2018.xx.
I.K. Pandey, M. Natarajan, H. Faujdar, F. Hussain, M. Stein, and S. Kaur-Ghumaan
"Intramolecular stabilization of a catalytic [FeFe]-hydrogenase mimic investigated by experiment and theory"
Dalton Trans. 2018, [], ASAP-
[abstract]
DOI: 10.1039/c7dt04837h
2018.xx.
L. Wang, M. Zlatar, F. Vlahovic, S. Demeshko, C. Philouze, F. Molton, F. Meyer, C. Duboc, M. Gruden, and M. Gennari
"Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Ground State Iron(III) Complexes."
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201705989
2018.xx.
Y. Ren, K. Cheaib, J. Jacquet, H. Vezin, L. Fensterbank, M. Orio, S. Blanchard, and M. Desage-El Murr
"Copper-Catalyzed Aziridination with Redox-Active Ligands: Molecular Spin Catalysis"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201705649
2018.xx.
P.V. Bernhardt, J.K. Bilyj, V. Brosius, D. Chernyshov, R.J. Deeth, M. Foscato, V.R. Jensen, N. Mertes, M.J. Riley, and K.W. Törnroos
"Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201705439
2018.xx.
E. Andris, R. Navrátil, J. Jašík, G. Sabenya, M. Costas, M. Srnec, and J. Roithová
"Detection of Indistinct Fe−N Stretching Bands in Iron(V) Nitrides by Photodissociation Spectroscopy"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201705307
2018.xx.
L. Uribe, G. Diezemann, J. Gauss, J.P. Morth, and M. Cascella
"Structural Origin of Metal Specificity in Isatin Hydrolase fromLabrenzia aggregata Investigated by Computer Simulations"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201705159
2018.xx.
J.E.M.N. Klein, A. Draksharapu, A. Shokri, C.J. Cramer, and L. Que
"On the Lewis Acidity of the Oxoiron(IV) Unit in a Tetramethylcyclam Complex"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704977
2018.xx.
E.P. Alsaç, E. Ülker, S.V.K. Nune, Y. Dede, and F. Karadas
"Tuning the Electronic Properties of Prussian Blue Analogues for Efficient Water Oxidation Electrocatalysis: Experimental and Computational Studies"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704933
2018.xx.
R. Marcos, F. Bertini, Z. Rinkevicius, M. Peruzzini, L. Gonsalvi, and M.S.G. Ahlquist
"Mechanistic Studies on NaHCO3 Hydrogenation and HCOOH Dehydrogenation Reactions Catalysed by a FeII Linear Tetraphosphine Complex"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704927
2018.xx.
I. Fidan, D. Luneau, V. Ahsen, and C. Hirel
"Revisiting the Ullman's Radical Chemistry for Phthalocyanine Derivatives"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704903
2018.xx.
I. Capel Berdiell, R. Kulmaczewski, O. Cespedes, and M.A. Halcrow
"An Incomplete Spin Transition Associated with aZ ′=1→Z ′=24 Crystallographic Symmetry Breaking"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704896
2018.xx.
A. Lábas, D.K. Menyhárd, J.N. Harvey, and J. Oláh
"First Principles Calculation of the Reaction Rates for Ligand Binding to Myoglobin: The Cases of NO and CO"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704867
2018.xx.
I. Pryjomska-Ray, D. Zornik, M. Pätzel, K.B. Krause, L. Grubert, B. Braun-Cula, S. Hecht, and C. Limberg
"Comparing Isomeric Tridentate Carbazole-Based Click Ligands: Metal Complexes and Redox Chemistry"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704858
2018.xx.
C. Sousa, A. Domingo, and C. de Graaf
"Effect of Second-Order Spin-Orbit Coupling on the Interaction between Spin States in Spin-Crossover Systems"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704854
2018.xx.
J. Serrano-Plana, F. Acuña-Parés, V. Dantignana, W.N. Oloo, E. Castillo, A. Draksharapu, C.J. Whiteoak, V. Martin-Diaconescu, M.G. Basallote, J.M. Luis, L. Que, M. Costas, and A. Company
"Acid-Triggered O−O Bond Heterolysis of a Nonheme FeIII (OOH) Species for the Stereospecific Hydroxylation of Strong C−H Bonds"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704851
2018.xx.
F. Vlahovic, M. Gruden, and M. Swart
"Rotating Iron and Titanium Sandwich Complexes"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704829
2018.xx.
S. Zerdane, E. Collet, X. Dong, S.F. Matar, H.F. Wang, C. Desplanches, G. Chastanet, M. Chollet, J.M. Glownia, H.T. Lemke, M. Lorenc, and M. Cammarata
"Electronic and Structural Dynamics During the Switching of the Photomagnetic Complex [Fe(L222 N5 )(CN)2 ]"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704746
2018.xx.
C. Esmieu, M. Orio, J. Mangue, J. Pécaut, S. Ménage, and S. Torelli
"Valence Localization at a Bio-inspired Mixed-Valent {Cu2 S}2+ Motif upon Solvation in Acetonitrile: Effect on Nitrous Oxide Reductase (N2 Or) Activity"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704737
2018.xx.
M. Obies, N.R. Perkins, V. Arcisauskaite, G.A. Heath, A.J. Edwards, and J.E. McGrady
"Redox-Dependent Metal−Metal Bonding in Trinuclear Metal Chains: Probing the Transition from Covalent Bonding to Exchange Coupling"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704727
2018.xx.
M.A. Kaczmarek, A. Malhotra, G.A. Balan, A. Timmins, and S.P. de Visser
"Nitrogen Reduction to Ammonia on a Biomimetic Mononuclear Iron Centre: Insights into the Nitrogenase Enzyme"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704688
2018.xx.
B. Pinter, A. Chankisjijev, P. Geerlings, J.N. Harvey, and F. De Proft
"Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference Analysis"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704657
2018.xx.
D. Müller, C. Knoll, M. Seifried, J.M. Welch, G. Giester, M. Reissner, and P. Weinberger
"Halogenated Alkyltetrazoles for the Rational Design of FeII Spin-Crossover Materials: Fine-Tuning of the Ligand Size"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704656
2018.xx.
T. Hunter, R. Bonetta, A. Sacco, M. Vella, P. Sultana, C.H. Trinh, H.B.R. Fadia, T. Borowski, R. Garcia-Fandiño, T. Stockner, and G.J. Hunter
"A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704655
2018.xx.
G. La Penna, and M.S. Li
"Towards High-Throughput Modelling of Copper Reactivity Induced by Structural Disorder in Amyloid Peptides"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704654
2018.xx.
P.A.B. Haase, M. Repisky, S. Komorovsky, J. Bendix, and S.P.A. Sauer
"Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF6 ]2− and [IrF6 ]2− "
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704653
2018.xx.
V. Krewald, and L. González
"A Valence-Delocalised Osmium Dimer capable of Dinitrogen Photocleavage: Ab Initio Insights into Its Electronic Structure"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704651
2018.xx.
H. Kurz, C. Lochenie, K.G. Wagner, S. Schneider, M. Karg, and B. Weber
"Synthesis and Optical Properties of Phenanthroline-Derived Schiff Base-Like Dinuclear RuII -NiII Complexes"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704632
2018.xx.
A.S. Karns, M. Goswami, and B. de Bruin
"Catalytic Synthesis of Indolines by Hydrogen Atom Transfer to Cobalt(III)-Carbene Radicals"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704626
2018.xx.
S. Mena, A. Mirats, A.B. Caballero, G. Guirado, L.A. Barrios, S.J. Teat, L. Rodriguez-Santiago, M. Sodupe, and P. Gamez
"Drastic Effect of the Peptide Sequence on the Copper-Binding Properties of Tripeptides and the Electrochemical Behaviour of Their Copper(II) Complexes"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704623
2018.xx.
D.F.A.R. Dourado, M. Swart, and A.T.P. Carvalho
"Why the Flavin Adenine Dinucleotide (FAD) Cofactor Needs To Be Covalently Linked to Complex II of the Electron-Transport Chain for the Conversion of FADH2 into FAD"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704622
2018.xx.
P. Pirovano, B. Twamley, and A.R. McDonald
"Modulation of Nickel Pyridinedicarboxamidate Complexes to Explore the Properties of High-valent Oxidants"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704618
2018.xx.
A. Miłaczewska, E. Kot, J.A. Amaya, T.M. Makris, M. Zając, J. Korecki, A. Chumakov, B. Trzewik, S. Kędracka-Krok, W. Minor, M. Chruszcz, and T. Borowski
"On the Structure and Reaction Mechanism of Human Acireductone Dioxygenase"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704617
2018.xx.
C. Wegeberg, F.R. Lauritsen, C. Frandsen, S. Mørup, W.R. Browne, and C.J. McKenzie
"Directing a Non-Heme Iron(III)-Hydroperoxide Species on a Trifurcated Reactivity Pathway"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704615
2018.xx.
M. Kafentzi, R. Papadakis, F. Gennarini, A. Kochem, O. Iranzo, Y. Le Mest, N. Le Poul, T. Tron, B. Faure, A.J. Simaan, and M. Réglier
"Electrochemical Water Oxidation and Stereoselective Oxygen Atom Transfer Mediated by a Copper Complex"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704613
2018.xx.
C.A. Gaggioli, L. Belpassi, F. Tarantelli, J.N. Harvey, and P. Belanzoni
"Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704608
2018.xx.
R. Bonetta
"Potential Therapeutic Applications of MnSODs and SOD-Mimetics"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704561
2018.xx.
R.J. Deeth, M.A. Halcrow, L.J. Kershaw Cook, and P.R. Raithby
"Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704558
2018.xx.
L. Pogány, B. Brachňaková, J. Moncol, J. Pavlik, I. Nemec, Z. Trávníček, M. Mazúr, L. Bučinský, L. Suchánek, and I. Šalitroš
"Impact of Substituent Variation on the Presence of Thermal Spin Crossover in a Series of Mononuclear Iron(III) Schiff Base Complexes with Terminal Pseudohalido Co-ligands"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704546
2018.xx.
Q.M. Phung, A. Domingo, and K. Pierloot
"Dinuclear Iron(II) Spin-Crossover Compounds: A Theoretical Study"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704441
2018.xx.
G. Prokopiou, and L. Kronik
"Spin-State Energetics of Fe Complexes from an Optimally Tuned Range-Separated Hybrid Functional"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201704014
2018.xx.
D.G.A. Verhoeven, M.A.C. van Wiggen, J. Kwakernaak, M. Lutz, R.J.M. Klein Gebbink, and M. Moret
"Periodic Trends in the Binding of a Phosphine-Tethered Ketone Ligand to Fe, Co, Ni, and Cu"
Chem. Eur. J. 2018, [], ASAP-
[abstract]
DOI: 10.1002/chem.201703254
2018.xx. #STSM paper (#38503)
J. Chen, A. Draksharapu, M. Gruden, S. Stepanovic, and W.R. Browne
"A non-heme iron photocatalyst for light driven aerobic oxidation of methanol"
Angew. Chem. Int. Ed. 2018, [], ASAP-
[abstract]
#OpenAccess
DOI: 10.1002/anie.201712678
2018.11.
S. Mai, F. Plasser, J. Dorn, M. Fumanal, C. Daniel, and L. González
"Quantitative wave function analysis for excited states of transition metal complexes"
Coord. Chem. Rev. 2018, 361, 74-97
[abstract]
DOI: 10.1016/j.ccr.2018.01.019
2018.10.
L. Cao, O. Caldararu, A.C. Rosenzweig, and U. Ryde
"Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane Monooxygenase"
Angew. Chem. Int. Ed. 2018, 57, 162-166
[abstract]
DOI: 10.1002/anie.201708977
2018.09.
M. Seifried, C. Knoll, J. Welch, D. Müller, and P. Weinberger
"Unsaturated Aryl and Heteroaryl N1-Tetrazoles from 1-Allyl-1H-tetrazole"
Synthesis 2018, 50, 1007-1014
[abstract]
DOI: 10.1055/s-0036-1591879
2018.08. #STSM-paper (#37566)
M.R. Milenković, B. Čobeljić, K. Andjelkovic, and I. Turel
"Molecular structures and spin-states of pseudohalide metal complexes with hydrazones of Girard's T reagent"
Eur. J. Inorg. Chem. 2018, 2018, 838-846
[abstract]
DOI: 10.1002/ejic.201701387
2018.07.
V. Smeets, M. Wolff, J.A. Wolny, V. Schünemann, M.M. Dîrtu, J. Ge, J. Vanacken, V. Moshchalkov, and Y. Garcia
"Spin State Crossover, Vibrational, Computational, and Structural Studies of FeII 1-Isopropyl-1H -tetrazole Derivatives"
Eur. J. Inorg. Chem. 2018, 2018, 394-413
[abstract]
DOI: 10.1002/ejic.201700981
2018.06.
G. Alcover-Fortuny, J. Wu, R. Caballol, and C. de Graaf
"Quantum Chemical Study of the Inter Ligand Electron Transfer in Ru Polypyridyl Complexes"
J. Phys. Chem. A 2018, 122, 1114-1123
[abstract]
DOI: 10.1021/acs.jpca.7b11422
2018.05.
C. Sousa, M. Llunell, A. Domingo, and C. de Graaf
"Theoretical evidence for the direct3 MLCT-HS deactivation in the light-induced spin crossover of Fe(
Phys. Chem. Chem. Phys. 2018, 20, 2351-2355
[abstract]
DOI: 10.1039/c7cp08098k
2018.04.
G. Dong, U. Ryde, H.J. Aa. Jensen, and E.D. Hedegård
"Exploration of H2 binding to the [NiFe]-hydrogenase active site with multiconfigurational density functional theory"
Phys. Chem. Chem. Phys. 2018, 20, 794-801
[abstract]
DOI: 10.1039/c7cp06767d
2018.03.
E. Ferentinos, S. Chatziefthimiou, A. Boudalis, M. Pissas, G. Mathies, P. Gast, E. Groenen, Y. Sanakis, and P. Kyritsis
"The [Fe[(SePPh2)2N]2] complex revisited: X-ray crystallography, magnetometry, high-frequency EPR and Mössbauer studies reveal its tetrahedral FeIISe4 coordination sphere"
Eur. J. Inorg. Chem. 2018, 2018, 713-721
[abstract]
DOI: 10.1002/ejic.201701459
2018.02.
P. Pirovano, A.R. Berry, M. Swart, and A.R. McDonald
"Indirect evidence for a NiIII –oxyl oxidant in the reaction of a NiII complex with peracid"
Dalton Trans. 2018, 47, 246-250
[abstract]
DOI: 10.1039/c7dt03316h
2018.01. #STSM-paper (#37566)
M.Č. Romanović, M.R. Milenković, A. Pevec, I. Turel, V. Spasojević, S. Grubišić, D. Radanović, K. Anđelković, and B. Čobeljić
"Crystal structures, magnetic properties and DFT study of cobalt(II) azido complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard’s T reagent"
Polyhedron 2018, 139, 142-147
[abstract]
DOI: 10.1016/j.poly.2017.10.018
2017
2017.61.
M. Spivak, V. Arcisauskaite, X. López, J.E. McGrady, and C. de Graaf
"A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains"
Dalton Trans. 2017, 46, 6202-6211
[abstract]
DOI: 10.1039/c7dt01096f
2017.60.
J. Casellas, G. Alcover-Fortuny, C. de Graaf, and M. Reguero
"Phenylazopyridine as Switch in Photochemical Reactions. A Detailed Computational Description of the Mechanism of Its Photoisomerization"
Materials 2017, 10, 1342-
[abstract]
DOI: 10.3390/ma10121342
2017.59.
I. Šalitroš, O. Fuhr, M. Gál, M. Valášek, and M. Ruben
"Photoisomerization of Bis(tridentate) 2,6-Bis(1H -pyrazol-1-yl)pyridine Ligands Exhibiting a Multi-anthracene Skeleton"
Chem. Eur. J. 2018, 23, 10100-10109
[abstract]
DOI: 10.1002/chem.201700825
2017.58. #STSM-paper (#34875)
A.N. Georgopoulou, K. Al-Ameed, A.K. Boudalis, D.F. Anagnostopoulos, V. Psycharis, J.E. McGrady, Y. Sanakis, and C.P. Raptopoulou
"Site preferences in hetero-metallic [Fe9−x Nix ] clusters: a combined crystallographic, spectroscopic and theoretical analysis"
Dalton Trans. 2017, 46, 12835-12844
[abstract]
DOI: 10.1039/c7dt02930f
2017.57.
M. Spivak, V. Arcisauskaite, X. López, and C. de Graaf
"Backbone flexibility of extended metal atom chains.Ab initio molecular dynamics for Cr3 (dpa)4 X2 (X = NCS, CN, NO3 ) in gas and crystalline phases"
Dalton Trans. 2017, 46, 15487-15493
[abstract]
DOI: 10.1039/c7dt03520a
2017.56.
T. Corona, S.K. Padamati, F. Acuña-Parés, C. Duboc, W.R. Browne, and A. Company
"Trapping of superoxido cobalt and peroxido dicobalt species formed reversibly from CoII and O2 "
Chem. Commun. 2017, 53, 11782-11785
[abstract]
DOI: 10.1039/c7cc05904c
2017.55.
C. Sousa, C. de Graaf, A. Rudavskyi, and R. Broer
"Theoretical Study of the Light-Induced Spin Crossover Mechanism in [Fe(mtz)6 ]2+ and [Fe(phen)3 ]2+ "
J. Phys. Chem. A 2017, 121, 9720-9727
[abstract]
DOI: 10.1021/acs.jpca.7b10687
2017.54.
Z. Mazloomi, R. Pretorius, O. Pàmies, M. Albrecht, and M. Diéguez
"Triazolylidene Iridium Complexes for Highly Efficient and Versatile Transfer Hydrogenation of C═O, C═N, and C═C Bonds and for Acceptorless Alcohol Oxidation"
Inorg. Chem. 2017, 56, 11282-11298
[abstract]
DOI: 10.1021/acs.inorgchem.7b01707
2017.53.
F. Gennarini, R. David, I. López, Y. Le Mest, M. Réglier, C. Belle, A. Thibon-Pourret, H. Jamet, and N. Le Poul
"Influence of Asymmetry on the Redox Properties of Phenoxo- and Hydroxo-Bridged Dicopper Complexes: Spectroelectrochemical and Theoretical Studies"
Inorg. Chem. 2017, 56, 7707-7719
[abstract]
DOI: 10.1021/acs.inorgchem.7b00338
2017.52.
S. Amabilino, and R.J. Deeth
"DFT Analysis of Spin Crossover in Mn(III) Complexes: Is a Two-ElectronS = 2 toS = 0 Spin Transition Feasible?"
Inorg. Chem. 2017, 56, 2602-2613
[abstract]
DOI: 10.1021/acs.inorgchem.6b02793
2017.51.
R. Kulmaczewski, E. Trzop, L.J. Kershaw Cook, E. Collet, G. Chastanet, and M.A. Halcrow
"The role of symmetry breaking in the structural trapping of light-induced excited spin states"
Chem. Commun. 2017, 53, 13268-13271
[abstract]
DOI: 10.1039/c7cc07990g
2017.50.
F. Mecozzi, J.J. Dong, P. Saisaha, and W.R. Browne
"Oxidation of Vicinal Diols to α-Hydroxy Ketones with H2 O2 and a Simple Manganese Catalyst"
Eur. J. Org. Chem. 2017, 2017, 6919-6925
[abstract]
#OpenAccess
DOI: 10.1002/ejoc.201701314
2017.49.
C. Rajnák, B. Schäfer, I. Šalitroš, O. Fuhr, M. Ruben, and R. Boča
"Influence of the charge of the complex unit on the SCO properties in pyrazolyl-pyridinyl-benzimidazole based Fe(II) complexes"
Polyhedron 2017, 135, 189-194
[abstract]
DOI: 10.1016/j.poly.2017.06.035
2017.48.
L. Pogány, J. Moncol, J. Pavlik, and I. Šalitroš
"Series of high spin mononuclear iron(
New J. Chem. 2017, 41, 5904-5915
[abstract]
DOI: 10.1039/c7nj00617a
2017.47.
F. Gennarini, A. Kochem, J. Isaac, A. Mansour, I. López, Y. Le Mest, A. Thibon-Pourret, B. Faure, H. Jamet, N. Le Poul, C. Belle, A.J. Simaan, and M. Réglier
"Effect of ligand exchange on the one-electron oxidation process of alkoxo or phenoxo bridged binuclear copper(II) complexes"
Inorg. Chim. Acta 2017, [], ASAP-
[abstract]
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2017.46.
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"Orbital entanglement and CASSCF analysis of the Ru–NO bond in a Ruthenium nitrosyl complex"
Phys. Chem. Chem. Phys. 2015, 17, 14383-14392
[abstract]
[correction]
#OpenAccess
DOI: 10.1039/C4CP05278A
2015.03. #STSM-paper (#21241)
M. Goswami, V. Lyaskovskyy, S.R. Domingos, W.J. Buma, S. Woutersen, O. Troeppner, I. Ivanović-Burmazović, H. Lu, X. Cui, X.P. Zhang, E.J. Reijerse, S. DeBeer, M.M. van Schooneveld, F. Pfaff, K. Ray, and B. de Bruin
"Characterization of Porphyrin-Co(III)-‘Nitrene Radical’ Species Relevant in Catalytic Nitrene Transfer Reactions"
J. Am. Chem. Soc. 2015, 137, 5468-5479
[abstract]
DOI: 10.1021/jacs.5b01197
2015.02.
N. Kindermann, E. Bill, S. Dechert, S. Demeshko, E.J. Reijerse, and F. Meyer
"A Ferromagnetically Coupled (S =1) Peroxodicopper(II) Complex"
Angew. Chem. Int. Ed. 2015, 54, 1738-1743
[abstract]
DOI: 10.1002/anie.201409709
2015.01.
M. Perić, A. García-Fuente, M. Zlatar, C. Daul, S. Stepanović, P. García-Fernández, and M. Gruden-Pavlović
"Magnetic Anisotropy in “Scorpionate” First-Row Transition-Metal Complexes: A Theoretical Investigation"
Chem. Eur. J. 2015, 21, 3716-3726
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2014
2014.15.
F. Nador, F. Novio, and D. Ruiz-Molina
"Coordination Polymer Particles with ligand-centred pH-responses and spin transition"
Chem. Commun. 2014, 50, 14570-14572
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2014.14.
M. Ferbinteanu
"Synthesis, structure and magnetic properties of new homopolynuclear manganese(II) chain complex"
New Front. Chem. 2014, 23, 39-52
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2014.13.
C. Lochenie, W. Bauer, A.P. Railliet, S. Schlamp, Y. Garcia, and B. Weber
"Large Thermal Hysteresis for Iron(II) Spin Crossover Complexes withN -(Pyrid-4-yl)isonicotinamide"
Inorg. Chem. 2014, 53, 11563-11572
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2014.12.
K. Ridier, S. Petit, B. Gillon, G. Chaboussant, D.A. Safin, and Y. Garcia
"Magnetic neutron spectroscopy of a spin-transition molecular complex"
Phys. Rev. B 2014, 90, 104407
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2014.11.
S. Mai, T. Müller, F. Plasser, P. Marquetand, H. Lischka, and L. González
"Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods"
J. Chem. Phys. 2014, 141, 074105-
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2014.10.
J. Chalupský, T.A. Rokob, Y. Kurashige, T. Yanai, E.I. Solomon, L. Rulíšek, and M. Srnec
"Reactivity of the Binuclear Non-Heme Iron Active Site of Δ9 Desaturase Studied by Large-Scale MultireferenceAb Initio Calculations"
J. Am. Chem. Soc. 2014, 136, 15977-15991
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2014.09.
M. Mirmohades, S. Pullen, M. Stein, S. Maji, S. Ott, L. Hammarström, and R. Lomoth
"Direct Observation of Key Catalytic Intermediates in a Photoinduced Proton Reduction Cycle with a Diiron Carbonyl Complex"
J. Am. Chem. Soc. 2014, 136, 17366-17369
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2014.08.
A. Domingo, C. Sousa, and C. de Graaf
"The effect of thermal motion on the electron localization in metal-to-ligand charge transfer excitations in [Fe(bpy)3 ]2+ "
Dalton Trans. 2014, 43, 17838-17846
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2014.07.
E.M. Zolnhofer, M. Käß, M.M. Khusniyarov, F.W. Heinemann, L. Maron, M. van Gastel, E. Bill, and K. Meyer
"An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product"
J. Am. Chem. Soc. 2014, 136, 15072-15078
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2014.06.
K. Adaila, M. Milenković, A. Bacchi, G. Cantoni, M. Swart, M. Gruden-Pavlović, M. Milenković, B. Čobeljić, T. Todorović, and K. Anđelković
"Synthesis, characterization, DFT calculations, and antimicrobial activity of Pd(II) and Co(III) complexes with the condensation derivative of 2-(diphenylphosphino)benzaldehyde and Girard’s T reagent"
J. Coord. Chem. 2014, 67, 3633-3648
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2014.05.
K. Ray, F.F. Pfaff, B. Wang, and W. Nam
"Status of Reactive Non-Heme Metal–Oxygen Intermediates in Chemical and Enzymatic Reactions"
J. Am. Chem. Soc. 2014, 136, 13942-13958
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2014.04.
S. Hong, F.F. Pfaff, E. Kwon, Y. Wang, M. Seo, E. Bill, K. Ray, and W. Nam
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Angew. Chem. Int. Ed. 2014, 53, 10403-10407
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2014.03.
S. Abram, I. Monte-Pérez, F.F. Pfaff, E.R. Farquhar, and K. Ray
"Evidence of two-state reactivity in alkane hydroxylation by Lewis-acid bound copper–nitrene complexes"
Chem. Commun. 2014, 50, 9852-
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2014.02.
E. Edler, and M. Stein
"Spin-State-Dependent Properties of an Iron(III) Hydrogenase Mimic"
Eur. J. Inorg. Chem. 2014, 2014, 3587-3599
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2014.01.
S. Kaur-Ghumaan, and M. Stein
"[NiFe] hydrogenases: how close do structural and functional mimics approach the active site?"
Dalton Trans. 2014, 43, 9392-
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