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Physical Chemistry Chemical Physics : PCCP
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November 12, 2024
Deciphering nonlinear optical properties in functionalized hexaphyrins <i>via</i> explainable machine learning
Eline Desmedt, Michiel Jacobs, Mercedes Alonso, et al.
Organic Letters
|
June 11, 2026
Pyrrole Annulation Controls Protonation-Induced Topology Switching in π-Extended Core-Modified Figure-of-Eight Hexaphyrins
Sumit Sahoo, Sergio Moles Quintero, Mercedes Alonso, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 15, 2015
Metalated Hexaphyrins: From Understanding to Rational Design
Mercedes Alonso, Balazs Pinter, Paul Geerlings, et al.
Topics in Catalysis
|
February 21, 2022
Uncovering the Activity of Alkaline Earth Metal Hydrogenation Catalysis Through Molecular Volcano Plots
Shubhajit Das, Bart De Tobel, Mercedes Alonso, et al.
Journal of Chemical Theory and Computation
|
August 27, 2024
Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models
Jochen Eeckhoudt, Mercedes Alonso, Paul Geerlings, et al.
Journal of Chemical Theory and Computation
|
April 28, 2020
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded Porphyrins
Nitai Sylvetsky, Ambar Banerjee, Mercedes Alonso, et al.
Molecules (Basel, Switzerland)
|
November 14, 2023
Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches
Eline Desmedt, Léa Serrano Gimenez, Freija De Vleeschouwer, et al.
Angewandte Chemie (International Ed. in English)
|
January 23, 2019
Alkene Transfer Hydrogenation with Alkaline-Earth Metal Catalysts
Heiko Bauer, Katharina Thum, Mercedes Alonso, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 10, 2023
Designing hexaphyrins for high-potential NLO switches: the synergy of core-modifications and <i>meso</i>-substitutions
Eline Desmedt, David Smets, Tatiana Woller, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 3, 2019
Towards the Design of Optically Active Thiophene S-Oxides using Quantum Chemistry
Steven Verlinden, Tatiana Woller, Frank De Proft, et al.
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Search research articles
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Showing results (21-30 of 123) with videos related to
Sort By:
Page
of 13
Physical Chemistry Chemical Physics : PCCP
|
November 12, 2024
Deciphering nonlinear optical properties in functionalized hexaphyrins <i>via</i> explainable machine learning
Eline Desmedt, Michiel Jacobs, Mercedes Alonso, et al.
Organic Letters
|
June 11, 2026
Pyrrole Annulation Controls Protonation-Induced Topology Switching in π-Extended Core-Modified Figure-of-Eight Hexaphyrins
Sumit Sahoo, Sergio Moles Quintero, Mercedes Alonso, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 15, 2015
Metalated Hexaphyrins: From Understanding to Rational Design
Mercedes Alonso, Balazs Pinter, Paul Geerlings, et al.
Topics in Catalysis
|
February 21, 2022
Uncovering the Activity of Alkaline Earth Metal Hydrogenation Catalysis Through Molecular Volcano Plots
Shubhajit Das, Bart De Tobel, Mercedes Alonso, et al.
Journal of Chemical Theory and Computation
|
August 27, 2024
Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models
Jochen Eeckhoudt, Mercedes Alonso, Paul Geerlings, et al.
Journal of Chemical Theory and Computation
|
April 28, 2020
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded Porphyrins
Nitai Sylvetsky, Ambar Banerjee, Mercedes Alonso, et al.
Molecules (Basel, Switzerland)
|
November 14, 2023
Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches
Eline Desmedt, Léa Serrano Gimenez, Freija De Vleeschouwer, et al.
Angewandte Chemie (International Ed. in English)
|
January 23, 2019
Alkene Transfer Hydrogenation with Alkaline-Earth Metal Catalysts
Heiko Bauer, Katharina Thum, Mercedes Alonso, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 10, 2023
Designing hexaphyrins for high-potential NLO switches: the synergy of core-modifications and <i>meso</i>-substitutions
Eline Desmedt, David Smets, Tatiana Woller, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 3, 2019
Towards the Design of Optically Active Thiophene S-Oxides using Quantum Chemistry
Steven Verlinden, Tatiana Woller, Frank De Proft, et al.
Page
of 13