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Authors whose works are in public domain in at least one jurisdiction

List of works by Imre Pápai

A Catalyst Designed for the Enantioselective Construction of Methyl- and Alkyl-Substituted Tertiary Stereocenters

scientific article published on 25 November 2015

A frustrated-Lewis-pair approach to catalytic reduction of alkynes to cis-alkenes

scientific article published on 07 July 2013

Acrylate formation via metal-assisted C-C coupling between CO2 and C2H4: reaction mechanism as revealed from density functional calculations.

scientific article

Association of frustrated phosphine-borane pairs in toluene: molecular dynamics simulations

scientific article published on 20 April 2012

Atom-Efficient Synthesis of Alkynylfluoroborates Using BF3 -Based Frustrated Lewis Pairs

scientific article published on 6 October 2016

Base-induced reversible H2 addition to a single Sn(ii) centre

scientific article published on 18 September 2018

Behaviour of [PdH(dppe)2]X (X=CF3SO3-, SbF6-, BF4-) as proton or hydride donor: relevance to catalysis.

scientific article

Catalytic Activity of trans-Bis(pyridine)gold Complexes

scientific article published on 23 March 2020

Catalytic Synthesis of Hydroxymethyl‐2‐oxazolidinones from Glycerol or Glycerol Carbonate and Urea ⬇️

scientific article published on December 7, 2012

Catalytic hydrogenation with frustrated Lewis pairs: selectivity achieved by size-exclusion design of Lewis acids

scientific article published on 12 December 2011

Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation

scientific article published on 04 February 2015

Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory

scientific article

Concerted attack of frustrated Lewis acid-base pairs on olefinic double bonds: a theoretical study.

scientific article published on 9 May 2008

Conformationally Locked Pyramidality Explains the Diastereoselectivity in the Methylation of trans-Fused Butyrolactones

scientific article published on 27 April 2020

Cooperative assistance in bifunctional organocatalysis: enantioselective Mannich reactions with aliphatic and aromatic imines

scientific article published on 09 July 2012

Cross-dehydrogenative couplings between indoles and β-keto esters: ligand-assisted ligand tautomerization and dehydrogenation via a proton-assisted electron transfer to Pd(II)

scientific article published on 16 April 2014

Dihydrooxazine oxides as key intermediates in organocatalytic Michael additions of aldehydes to nitroalkenes

scientific article published on 13 November 2012

Dual hydrogen-bond/enamine catalysis enables a direct enantioselective three-component domino reaction

scientific article published on 23 May 2011

Dynamic Refolding of Ion-Pair Catalysts in Response to Different Anions

scientific article published on 26 September 2019

Evidence for Spontaneous Release of Acrylates from a Transition-Metal Complex Upon Coupling Ethene or Propene with a Carboxylic Moiety or CO2

article

Expanding the Boundaries of Water-Tolerant Frustrated Lewis Pair Hydrogenation: Enhanced Back Strain in the Lewis Acid Enables the Reductive Amination of Carbonyls

scientific article

Expanding the scope of metal-free catalytic hydrogenation through frustrated Lewis pair design

scientific article published on 01 September 2010

Folding Patterns in a Family of Oligoamide Foldamers

scientific article published on 12 May 2015

H2CO3 forms via HCO3- in water

scientific article published on 29 November 2010

Halogen Bonding Helicates Encompassing Iodonium Cations

scientific article published on 06 June 2019

Intramolecular frustrated Lewis pair with the smallest boryl site: reversible H2 addition and kinetic analysis

scientific article published on 17 December 2014

Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne

scientific article published on 29 October 2019

Mechanism of formation of organic carbonates from aliphatic alcohols and carbon dioxide under mild conditions promoted by carbodiimides. DFT calculation and experimental study

scientific article published in August 2005

Mechanistic Insight into Asymmetric Hetero-Michael Addition of α,β-Unsaturated Carboxylic Acids Catalyzed by Multifunctional Thioureas

scientific article published on 14 September 2018

Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.

scientific article published on 22 March 2016

Mukaiyama-Michael reactions with trans-2,5-diarylpyrrolidine catalysts: enantioselectivity arises from attractive noncovalent interactions, not from steric hindrance

scientific article published in April 2014

Nuclear spin hyperpolarization with ansa-aminoboranes: a metal-free perspective for parahydrogen-induced polarization

scientific article published on 01 October 2016

O-I-O halogen bond of halonium ions

scientific article published on 22 July 2020

On the Mechanism of Bifunctional Squaramide-Catalyzed Organocatalytic Michael Addition: A Protonated Catalyst as an Oxyanion Hole

article

On the mechanism of B(C6F5)3-catalyzed direct hydrogenation of imines: inherent and thermally induced frustration.

scientific article

Rationalizing the reactivity of frustrated Lewis pairs: thermodynamics of H(2) activation and the role of acid-base properties

scientific article published on 01 August 2009

Reactivity models of hydrogen activation by frustrated Lewis pairs: synergistic electron transfers or polarization by electric field?

scientific article

Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations

scientific article published on 27 January 2017

RuBisCO-Inspired CO2 Activation and Transformation by an Iridium(I) Complex.

scientific article published on 3 January 2018

Stereocontrol in Diphenylprolinol Silyl Ether Catalyzed Michael Additions: Steric Shielding or Curtin-Hammett Scenario?

scientific article published in November 2017

Stereoelectronic requirements for optimal hydrogen-bond-catalyzed enolization

scientific article published on 9 February 2011

Synthesis and Characterization of Fe0 (2,2'-bipyridine) (2-aminoethyl-pyridine) and its Reaction with Dihydrogen.

scientific article published on 17 November 2016

Synthesis and X-ray characterization of [RhCl(C2H4)(PiPr3)]2. Multinuclear NMR and DFT investigation of its solid-state and solution reaction with dihydrogen. Ethene and propene hydrogenation by the solid Rh-hydrides

scientific article

Synthesis, Characterization, and Reactivity of Cationic Hydride [HPd(diphosphine)2]+CF3SO3-, the Missing Member of the Family [HM(dppe)2]+X-(M = Ni, Pd, Pt). DFT QM/MM Structural Predictions for the [HPd(dppe)2]+Moiety

scientific article published on 01 December 2002

The solid state structure and reactivity of NbCl(5) x (N,N'-dicyclohexylurea) in solution: evidence for co-ordinated urea dehydration to the relevant carbodiimide

scientific article published on 14 June 2010

Theoretical investigation of the reactivity of copper atoms with OCS: comparison with CS2 and CO2

scientific article published on 01 September 2005

Theoretical studies on the bifunctionality of chiral thiourea-based organocatalysts: competing routes to C-C bond formation

scientific article published on 01 October 2006

Turning frustration into bond activation: a theoretical mechanistic study on heterolytic hydrogen splitting by frustrated Lewis pairs

scientific article published on 01 January 2008

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