Published in J Phys Chem A on October 27, 2005
Facile conversion of CO/H2 into methoxide at a uranium(III) center. Angew Chem Int Ed Engl (2011) 1.50
Order parameters of a transmembrane helix in a fluid bilayer: case study of a WALP peptide. Biophys J (2010) 1.02
Nanocrystalline lanthanide nitride materials synthesised by thermal treatment of amido and ammine metallocenes: X-ray studies and DFT calculations. Chemistry (2006) 1.00
Transition-metal complexes featuring Z-type ligands: agreement or discrepancy between geometry and d(n) configuration? Angew Chem Int Ed Engl (2007) 0.98
Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nat Chem (2012) 0.92
Group 10 and 11 metal boratranes (Ni, Pd, Pt, CuCl, AgCl, AuCl, and Au+) derived from a triphosphine-borane. J Am Chem Soc (2008) 0.91
Reactions of monomeric [1,2,4-(Me3C)3C5H2]2CeH and CO with or without H2: an experimental and computational study. J Am Chem Soc (2007) 0.89
DFT 2H quadrupolar coupling constants of ruthenium complexes: a good probe of the coordination of hydrides in conjuction with experiments. Phys Chem Chem Phys (2009) 0.87
Two-electron reductive carbonylation of terminal uranium(V) and uranium(VI) nitrides to cyanate by carbon monoxide. Angew Chem Int Ed Engl (2014) 0.86
Siloxides as supporting ligands in uranium(III)-mediated small-molecule activation. Angew Chem Int Ed Engl (2012) 0.85
Activation of white phosphorus by low-valent group 5 complexes: formation and reactivity of cyclo-P4 inverted sandwich compounds. J Am Chem Soc (2014) 0.85
Reversible sigma C-C bond formation between phenanthroline ligands activated by (C5Me5)2Yb. J Am Chem Soc (2014) 0.84
Lanthanum does form stable molecular compounds in the +2 oxidation state. Angew Chem Int Ed Engl (2008) 0.84
Uranyl oxo activation and functionalization by metal cation coordination. Nat Chem (2010) 0.84
Reducing CO₂ to methanol using frustrated Lewis pairs: on the mechanism of phosphine-borane-mediated hydroboration of CO₂. J Am Chem Soc (2014) 0.83
Theoretical and experimental studies on the carbon-nanotube surface oxidation by nitric acid: interplay between functionalization and vacancy enlargement. Chemistry (2011) 0.83
Are 5f electrons really active in organoactinide reactivity? Some insights from DFT studies. Chemphyschem (2010) 0.82
A highly active phosphine-borane organocatalyst for the reduction of CO2 to methanol using hydroboranes. J Am Chem Soc (2013) 0.82
A DFT study of the single electron reduction and silylation of the U-O bond of the uranyl dication in a macrocyclic environment. Chem Commun (Camb) (2009) 0.81
Metallaboratranes derived from a triphosphanyl-borane: intrinsic C3 symmetry supported by a Z-type ligand. Angew Chem Int Ed Engl (2008) 0.81
Insight into the reaction mechanisms of (MeC5H4)3U with isoelectronic heteroallenes CS2, COS, PhN3, and PhNCO by DFT studies: a unique pathway that involves bimetallic complexes. Chemistry (2012) 0.81
Multimetallic cooperativity in uranium-mediated CO₂ activation. J Am Chem Soc (2014) 0.80
17O NMR gives unprecedented insights into the structure of supported catalysts and their interaction with the silica carrier. J Am Chem Soc (2012) 0.80
Rare-earth metal alkyl and hydride complexes stabilized by a cyclen-derived [NNNN] macrocyclic ancillary ligand. J Am Chem Soc (2008) 0.80
A DFT study of the reactivity of actinidocenes (U, Np and Pu) with pyridine and pyridine N-oxide derivatives. Dalton Trans (2010) 0.80
Carbon monoxide activation via O-bound CO using decamethylscandocinium-hydridoborate ion pairs. J Am Chem Soc (2012) 0.80
Reaction of singlet dioxygen with phosphine-borane derivatives: from transient phosphine peroxides to crystalline peroxoboronates. Angew Chem Int Ed Engl (2010) 0.79
Versatile reactivity of a four-coordinate scandium phosphinidene complex: reduction, addition, and CO activation reactions. J Am Chem Soc (2013) 0.79
Heteronuclear NMR spectroscopy as a surface-selective technique: a unique look at the hydroxyl groups of γ-alumina. Chemistry (2014) 0.79
Oxo-functionalization and reduction of the uranyl ion through lanthanide-element bond homolysis: synthetic, structural, and bonding analysis of a series of singly reduced uranyl-rare earth 5f1-4f(n) complexes. J Am Chem Soc (2013) 0.79
Intermediate-valence tautomerism in decamethylytterbocene complexes of methyl-substituted bipyridines. J Am Chem Soc (2010) 0.78
Ab initio dynamic study of the reaction of Cl2LaR (R=H, CH3) with H2. J Phys Chem A (2006) 0.78
Dehydrogenation of amine-borane Me2NH·BH3 catalyzed by a lanthanum-hydride complex. Chemistry (2013) 0.78
Molecular zinc dihydride stabilized by N-heterocyclic carbenes. Angew Chem Int Ed Engl (2013) 0.78
Ab initio molecular dynamics studies of tetrasulfur. Dynamics coupling the C2v open and D2h closed forms of S4. J Phys Chem A (2010) 0.78
Formation of a uranium trithiocarbonate complex via the nucleophilic addition of a sulfide-bridged uranium complex to CS2. Inorg Chem (2011) 0.78
Theoretical treatment of redox processes involving lanthanide(II) compounds: reactivity of organosamarium(II) and organothulium(II) complexes with CO2 and pyridine. J Phys Chem A (2011) 0.78
New perspectives in organolanthanide chemistry from redox to bond metathesis: insights from theory. Chem Soc Rev (2016) 0.78
Some structural and electronic properties of MX3 (M = Ln, Sc, Y, Ti+, Zr+, Hf+; X = H, Me, Hal, NH2) from DFT calculations. Faraday Discuss (2003) 0.78
Ring-opening polymerization of ε-caprolactone catalyzed by sulfonic acids: computational evidence for bifunctional activation. J Org Chem (2010) 0.78
Hypervalent silicon compounds by coordination of diphosphine-silanes to gold. Chemistry (2010) 0.78
The big impact of a small detail: cobalt nanocrystal polymorphism as a result of precursor addition rate during stock solution preparation. J Am Chem Soc (2012) 0.77
Quantum chemistry-based interpretations on the lowest triplet state of luminescent lanthanides complexes. Part 1. Relation between the triplet state energy of hydroxamate complexes and their luminescence properties. Dalton Trans (2004) 0.77
Insights into the mechanism of reaction of [(C5Me5)2Sm(II)(thf)2] with CO2 and COS by DFT studies. Chemistry (2012) 0.77
Cation-mediated conversion of the state of charge in uranium arene inverted-sandwich complexes. Chemistry (2013) 0.77
Hydrogen bonding of cholesterol in the lipidic cubic phase. Langmuir (2013) 0.77
Interplay between cationic and neutral species in the rhodium-catalyzed hydroaminomethylation reaction. Chemistry (2012) 0.77
The effect of the equatorial environment on oxo-group silylation of the uranyl dication: a computational study. Chemistry (2010) 0.77
On the mechanism of the reaction of a magnesium(I) complex with CO₂: a concerted type of pathway. Chem Commun (Camb) (2014) 0.77
Can a pentamethylcyclopentadienyl ligand act as a proton-relay in f-element chemistry? Insights from a joint experimental/theoretical study. Dalton Trans (2015) 0.77
Activation of SO2 and CO2 by trivalent uranium leading to sulfite/dithionite and carbonate/oxalate complexes. Chemistry (2014) 0.77
Decamethylytterbocene complexes of bipyridines and diazabutadienes: multiconfigurational ground states and open-shell singlet formation. J Am Chem Soc (2009) 0.77
Probing the stereo-electronic properties of cationic rhodium complexes bearing chiral diphosphine ligands by 103Rh NMR. Magn Reson Chem (2010) 0.77
Direct evidence for intermolecular oxidative addition of σ(Si-Si) bonds to gold. Angew Chem Int Ed Engl (2013) 0.76
Discrete, solvent-free alkaline-earth metal cations: metal···fluorine interactions and ROP catalytic activity. J Am Chem Soc (2011) 0.76
A cationic calcium hydride cluster stabilized by cyclen-derived macrocyclic N,N,N,N ligands. Angew Chem Int Ed Engl (2012) 0.76
An intermediate cobalt(IV) nitrido complex and its N-migratory insertion product. J Am Chem Soc (2014) 0.76
An actinide metallacyclopropene complex: synthesis, structure, reactivity, and computational studies. J Am Chem Soc (2014) 0.76
Transient palladadiphosphanylcarbenes: singlet carbenes with an "inverse" electronic configuration (p(pi)2 instead of sigma2) and unusual transannular metal-carbene interactions (piC-->Pd donation and sigmaPd-->C back-donation). J Am Chem Soc (2007) 0.75
Propensity for local folding induced by the urea fragment in short-chain oligomers. Org Biomol Chem (2008) 0.75
Early main group metal catalysis: how important is the metal? Angew Chem Int Ed Engl (2014) 0.75
On the reaction mechanism of redox transmetallation of elemental Yb with Hg(C6F5)2 and subsequent reactivity of Yb(C6F5)2 with pyrazole: a DFT investigation. Chem Commun (Camb) (2015) 0.75
Formation of cyanates in low-valent uranium chemistry: a synergistic experimental/theoretical study. Dalton Trans (2014) 0.75
Activation of SO2 by [Zn(Cp*)2] and [(Cp*)Zn(I)-Zn(I)(Cp*)]. Chem Commun (Camb) (2016) 0.75
Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: spectroscopy of the copper atom. J Chem Phys (2005) 0.75
Chameleon behavior of a newly synthesized scandium nitrilimine derivative. J Am Chem Soc (2013) 0.75
C(sp₃)-H bond activation with triel metals: indium and gallium zwitterions through internal hydride abstraction in rigid salan ligands. Chemistry (2014) 0.75
Isolation of a carborane-fused triazole radical anion. Angew Chem Int Ed Engl (2013) 0.75
Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation. J Am Chem Soc (2017) 0.75
Discrete magnesium hydride aggregates: a cationic Mg13H18 cluster stabilized by NNNN-type macrocycles. Angew Chem Int Ed Engl (2015) 0.75
A Highly Reactive Scandium Phosphinoalkylidene Complex: C-H and H-H Bonds Activation. J Am Chem Soc (2017) 0.75
Mechanistic insights from theory on the reduction of CO2, N2O, and SO2 molecules using tripodal diimine-enolate substituted magnesium(i) dimers. Dalton Trans (2016) 0.75
Correction to Understanding the Scarcity of Thorium Peroxide Clusters. Inorg Chem (2017) 0.75
Lewis acid triggered reactivity of a Lewis base stabilized scandium-terminal imido complex: C-H bond activation, cycloaddition, and dehydrofluorination. J Am Chem Soc (2014) 0.75
A series of uranium (IV, V, VI) tritylimido complexes, their molecular and electronic structures and reactivity with CO2. Inorg Chem (2014) 0.75
PMLABe diol synthesized by ring-opening polymerization of racemic benzyl β-malolactonate initiated by rare-earth trisborohydride complexes: an experimental and DFT study. Chemistry (2014) 0.75
Reversible Insertion of a C=C Bond into Magnesium(I) Dimers: Generation of Highly Active 1,2-Dimagnesioethane Compounds. J Am Chem Soc (2017) 0.75
Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination. Dalton Trans (2015) 0.75
An ion pair scandium hydride supported by a dianionic (NNNN)-type macrocycle ligand. Chem Commun (Camb) (2014) 0.75
Theoretical treatment of one electron redox transformation of a small molecule using f-element complexes. Dalton Trans (2014) 0.75
Using effective group potential methodology for predicting organometallic complex properties. J Am Chem Soc (2003) 0.75
Non-Chelated Phosphoniomethylidene Complexes of Scandium and Lutetium. J Am Chem Soc (2017) 0.75
Qualitative estimation of the single-electron transfer step energetics mediated by samarium(II) complexes: a "SOMO-LUMO gap" approach. Inorg Chem (2014) 0.75
Calculation of the ground and excited states of a mixed valence compound [Fe2(OH)3(NH3)6]2+: a class II or class III compound? Inorg Chem (2004) 0.75
Computational insights into carbon-carbon homocoupling reactions mediated by organolanthanide(III) complexes. Dalton Trans (2014) 0.75
Controlled thermolysis of uranium (alkoxy)siloxy complexes: a route to polymetallic complexes of low-valent uranium. Angew Chem Int Ed Engl (2013) 0.75
Hydrosilylation catalysis by an earth alkaline metal silyl: synthesis, characterization, and reactivity of bis(triphenylsilyl)calcium. Chem Commun (Camb) (2014) 0.75
Berry pseudorotation mechanism for the interpretation of the 19F NMR spectrum in PF5 by ab initio molecular dynamics simulations. Chemphyschem (2006) 0.75
Reductive disproportionation of nitric oxide mediated by low-valent uranium. Chem Commun (Camb) (2016) 0.75
To bend or not to bend: experimental and computational studies of structural preference in Ln(Tp(iPr)2)2 (Ln = Sm, Tm). Inorg Chem (2014) 0.75
CO2 conversion to isocyanate via multiple N-Si bond cleavage at a bulky uranium(iii) complex. Chem Commun (Camb) (2015) 0.75
A cationic zinc hydride cluster stabilized by an N-heterocyclic carbene: synthesis, reactivity, and hydrosilylation catalysis. Angew Chem Int Ed Engl (2014) 0.75