Reduction of Water to H2 by Diorganopalladium(II) Complexes of Tris(pyrazol-1-yl)borate: Ab-Initio Theoretical Study of the Mechanism.,
, Organometallics, Volume 16, Number 24, p.5331–5341, (1997)
Regiochemistry in the Pauson-Khand Reaction: Has a Trans Effect Been Overlooked?.,
, J. Am. Chem. Soc., Volume 123, Number 23, p.5396–5400, (2001)
Response to Comment on Autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic? by J. K. Beattie, Phys. Chem. Chem. Phys., 2007, 9, DOI: 10.1039/b713702h.,
, Phys. Chem. Chem. Phys., Volume 10, Number 2, p.332–333, (2008)
Reversible dimerization of viologen radicals covalently linked to a calixarene platform: Experimental and theoretical aspects.,
, Comptes Rendus Chim., Volume 17, Number 6, p.505–511, (2014)
Role of cancellation of errors in ab initio calculations: Structure and energetics of the OH- (H2O) system and electric dipole properties of the subsystems. [Erratum to document cited in CA138:45026].,
, J. Phys. Chem. A, Volume 107, Number 19, p.4008, (2003)
Role of Cancellation of Errors in Ab Initio Calculations: Structure and Energetics of the OH- (H2O) System and Electric Dipole Properties of the Subsystems.,
, J. Phys. Chem. A, Volume 106, Number 50, p.12084–12094, (2002)
Silver versus gold catalysis in tandem reactions of carbonyl functions onto alkynes: a versatile access to furoquinoline and pyranoquinoline cores.,
, Chem. - A Eur. J., Volume 13, Number 19, p.5632–5641, S5632/1–S5632/46, (2007)
Structural, kinetic, and theoretical studies on models of the zinc-containing phosphodiesterase active center: medium-dependent reaction mechanisms.,
, Chem. - A Eur. J., Volume 13, Number 32, p.9093–9106, (2007)
Synthesis and Theoretical Studies of a Diorganohydridoplatinum(IV) Complex, PtHMe2\(pz)3BH-N,N',N''\} ([(pz)3BH]- = Tris(pyrazol-1-yl)borate).},
, Organometallics, Volume 15, Number 12, p.2845–2847, (1996)
Synthesis of N-acridinyl-N'-alkylguanidines: Dramatic influence of amine to guanidine replacement on the physicochemical properties.,
, Bioorg. Med. Chem. Lett., Volume 18, Number 17, p.4779–4782, (2008)
Theoretical Study of the Addition of Hydrogen Cyanide to Methanimine in the Gas Phase and in Aqueous Solution.,
, J. Am. Chem. Soc., Volume 122, Number 2, p.324–330, (2000)
Theoretical study of the hydrogen chloride trihydrate.,
, Int. J. Quantum Chem., Volume 90, Number 3, p.1151–1162, (2002)
Theoretical Study of the Regiochemistry-Determining Step of the Pauson-Khand Reaction.,
, J. Am. Chem. Soc., Volume 123, Number 29, p.7184–7185, (2001)
Theoretical Study, Synthesis, and Reactivity of Five-Membered-Ring Acyl Sulfonium Cations.,
, Eur. J. Org. Chem., Volume 2015, Number 28, p.6125–6129, (2015)
Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate.,
, J. Chem. Theory Comput., Volume 5, Number 9, p.2193–2196, (2009)
Viologen-based redox-switchable anion-binding receptors.,
, New J. Chem., Volume 34, Number 7, p.1373–1386, (2010)
Was methionine the molecular trigger of life on early earth?.,
, Phosphorus, Sulfur Silicon Relat. Elem., Volume 191, Number 2, p.329–332, (2016)
Water surface is acidic.,
, Proc. Natl. Acad. Sci. U. S. A., Volume 104, Number 18, p.7342–7347, (2007)
A way to thioacetate esters compatible with non-oxidative prebiotic conditions,
, Scientific Reports, Volume 10, p.14488, (2020)
Ynol Ethers from Dichloroenol Ethers: Mechanistic Elucidation Through 35Cl Labeling.,
, Org. Lett., Volume 10, Number 20, p.4445–4447, (2008)
σ-Bond Metathesis Reactions Involving Palladium(II) Hydride and Methyl Complexes: A Theoretical Assessment.},
, Inorg. Chem., Volume 36, Number 15, p.3223–3231, (1997)