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Chimia
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December 4, 2023
Putting Chemical Knowledge to Work in Machine Learning for Reactivity
Kjell Jorner
Chimia
|
May 9, 2026
General Reaction Conditions <i>via</i> Data-driven Optimisation
Stefan P Schmid, Kjell Jorner
Scientific Data
|
February 1, 2023
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions
Thijs Stuyver, Kjell Jorner, Connor W Coley
Chimia
|
October 29, 2025
Educating Future Chemists in the Age of AI: A Digital Chemistry Course
Lauriane Jacot-Descombes, Stefan P Schmid, Kjell Jorner
Beilstein Journal of Organic Chemistry
|
September 18, 2024
Catalysing (organo-)catalysis: Trends in the application of machine learning to enantioselective organocatalysis
Stefan P Schmid, Leon Schlosser, Frank Glorius, et al.
Journal of Chemical Information and Modeling
|
February 12, 2026
Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry
Stefan P Schmid, Henrik Seng, Thibault Kläy, et al.
The Journal of Physical Chemistry. A
|
March 14, 2024
Ultrafast Computational Screening of Molecules with Inverted Singlet-Triplet Energy Gaps Using the Pariser-Parr-Pople Semiempirical Quantum Chemistry Method
Kjell Jorner, Robert Pollice, Cyrille Lavigne, et al.
Chemical Science
|
May 8, 2018
Triplet state homoaromaticity: concept, computational validation and experimental relevance
Kjell Jorner, Burkhard O Jahn, Patrick Bultinck, et al.
Chemical Science
|
October 27, 2022
Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies
Kjell Jorner, Tore Brinck, Per-Ola Norrby, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 7, 2017
Cyclopropyl Group: An Excited-State Aromaticity Indicator?
Rabia Ayub, Raffaello Papadakis, Kjell Jorner, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Chimia
|
December 4, 2023
Putting Chemical Knowledge to Work in Machine Learning for Reactivity
Kjell Jorner
Chimia
|
May 9, 2026
General Reaction Conditions <i>via</i> Data-driven Optimisation
Stefan P Schmid, Kjell Jorner
Scientific Data
|
February 1, 2023
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions
Thijs Stuyver, Kjell Jorner, Connor W Coley
Chimia
|
October 29, 2025
Educating Future Chemists in the Age of AI: A Digital Chemistry Course
Lauriane Jacot-Descombes, Stefan P Schmid, Kjell Jorner
Beilstein Journal of Organic Chemistry
|
September 18, 2024
Catalysing (organo-)catalysis: Trends in the application of machine learning to enantioselective organocatalysis
Stefan P Schmid, Leon Schlosser, Frank Glorius, et al.
Journal of Chemical Information and Modeling
|
February 12, 2026
Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry
Stefan P Schmid, Henrik Seng, Thibault Kläy, et al.
The Journal of Physical Chemistry. A
|
March 14, 2024
Ultrafast Computational Screening of Molecules with Inverted Singlet-Triplet Energy Gaps Using the Pariser-Parr-Pople Semiempirical Quantum Chemistry Method
Kjell Jorner, Robert Pollice, Cyrille Lavigne, et al.
Chemical Science
|
May 8, 2018
Triplet state homoaromaticity: concept, computational validation and experimental relevance
Kjell Jorner, Burkhard O Jahn, Patrick Bultinck, et al.
Chemical Science
|
October 27, 2022
Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies
Kjell Jorner, Tore Brinck, Per-Ola Norrby, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 7, 2017
Cyclopropyl Group: An Excited-State Aromaticity Indicator?
Rabia Ayub, Raffaello Papadakis, Kjell Jorner, et al.
Page
of 4