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Journal of the American Chemical Society
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December 4, 2003
Acrylate formation via metal-assisted C-C coupling between CO2 and C2H4: reaction mechanism as revealed from density functional calculations
Gábor Schubert, Imre Pápai
The Journal of Physical Chemistry. B
|
December 1, 2010
H2CO3 forms via HCO3- in water
András Stirling, Imre Pápai
Topics in Current Chemistry
|
January 12, 2013
Hydrogen activation by frustrated lewis pairs: insights from computational studies
Tibor András Rokob, Imre Pápai
Angewandte Chemie (International Ed. in English)
|
January 10, 2018
RuBisCO-Inspired CO<sub>2</sub> Activation and Transformation by an Iridium(I) Complex
Jens Langer, Andrea Hamza, Imre Pápai
Journal of Chemical Theory and Computation
|
September 18, 2025
Understanding DFT Uncertainties for More Reliable Reactivity Predictions by Advancing the Analysis of Error Sources
Gergely Laczkó, Imre Pápai, Péter R Nagy
Organic Letters
|
September 15, 2007
Computing reliable energetics for conjugate addition reactions
Tibor András Rokob, Andrea Hamza, Imre Pápai
Journal of the American Chemical Society
|
September 3, 2009
Rationalizing the reactivity of frustrated Lewis pairs: thermodynamics of H(2) activation and the role of acid-base properties
Tibor András Rokob, Andrea Hamza, Imre Pápai
Dalton Transactions (Cambridge, England : 2003)
|
April 21, 2012
Association of frustrated phosphine-borane pairs in toluene: molecular dynamics simulations
Imre Bakó, András Stirling, Szabolcs Bálint, et al.
Journal of Chemical Theory and Computation
|
August 24, 2017
Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory
István Mayer, Imre Pápai, Imre Bakó, et al.
Angewandte Chemie (International Ed. in English)
|
October 7, 2016
Atom-Efficient Synthesis of Alkynylfluoroborates Using BF<sub>3</sub> -Based Frustrated Lewis Pairs
Vladimir Iashin, Konstantin Chernichenko, Imre Pápai, et al.
Page
of 7
Search research articles
Search
Showing results (1-10 of 63) with videos related to
Sort By:
Page
of 7
Journal of the American Chemical Society
|
December 4, 2003
Acrylate formation via metal-assisted C-C coupling between CO2 and C2H4: reaction mechanism as revealed from density functional calculations
Gábor Schubert, Imre Pápai
The Journal of Physical Chemistry. B
|
December 1, 2010
H2CO3 forms via HCO3- in water
András Stirling, Imre Pápai
Topics in Current Chemistry
|
January 12, 2013
Hydrogen activation by frustrated lewis pairs: insights from computational studies
Tibor András Rokob, Imre Pápai
Angewandte Chemie (International Ed. in English)
|
January 10, 2018
RuBisCO-Inspired CO<sub>2</sub> Activation and Transformation by an Iridium(I) Complex
Jens Langer, Andrea Hamza, Imre Pápai
Journal of Chemical Theory and Computation
|
September 18, 2025
Understanding DFT Uncertainties for More Reliable Reactivity Predictions by Advancing the Analysis of Error Sources
Gergely Laczkó, Imre Pápai, Péter R Nagy
Organic Letters
|
September 15, 2007
Computing reliable energetics for conjugate addition reactions
Tibor András Rokob, Andrea Hamza, Imre Pápai
Journal of the American Chemical Society
|
September 3, 2009
Rationalizing the reactivity of frustrated Lewis pairs: thermodynamics of H(2) activation and the role of acid-base properties
Tibor András Rokob, Andrea Hamza, Imre Pápai
Dalton Transactions (Cambridge, England : 2003)
|
April 21, 2012
Association of frustrated phosphine-borane pairs in toluene: molecular dynamics simulations
Imre Bakó, András Stirling, Szabolcs Bálint, et al.
Journal of Chemical Theory and Computation
|
August 24, 2017
Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory
István Mayer, Imre Pápai, Imre Bakó, et al.
Angewandte Chemie (International Ed. in English)
|
October 7, 2016
Atom-Efficient Synthesis of Alkynylfluoroborates Using BF<sub>3</sub> -Based Frustrated Lewis Pairs
Vladimir Iashin, Konstantin Chernichenko, Imre Pápai, et al.
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of 7