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Alain C Vaucher

Showing results (1-10 of 23) with videos related to

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Chimia|June 30, 2017
One Bronze Medal for Switzerland at the 48<sup>th</sup> International Chemistry Olympiad in Tbilisi, GeorgiaAlain C Vaucher
Journal of Chemical Theory and Computation|February 17, 2017
Steering Orbital Optimization out of Local Minima and Saddle Points Toward Lower EnergyAlain C Vaucher, Markus Reiher
Journal of Chemical Information and Modeling|July 23, 2016
Molecular Propensity as a Driver for Explorative Reactivity StudiesAlain C Vaucher, Markus Reiher
Journal of Chemical Theory and Computation|April 13, 2018
Minimum Energy Paths and Transition States by Curve OptimizationAlain C Vaucher, Markus Reiher
Communications Chemistry|November 16, 2024
Leveraging infrared spectroscopy for automated structure elucidationMarvin Alberts, Teodoro Laino, Alain C Vaucher
Journal of Chemical Theory and Computation|January 21, 2016
Accelerating Wave Function Convergence in Interactive Quantum Chemical Reactivity StudiesAdrian H Mühlbach, Alain C Vaucher, Markus Reiher
The Journal of Physical Chemistry. A|November 14, 2018
Exploration of Reaction Pathways and Chemical Transformation NetworksGregor N Simm, Alain C Vaucher, Markus Reiher
Journal of Computational Chemistry|December 19, 2015
Real-time feedback from iterative electronic structure calculationsAlain C Vaucher, Moritz P Haag, Markus Reiher
Digital Discovery|April 17, 2023
Enhancing diversity in language based models for single-step retrosynthesisAlessandra Toniato, Alain C Vaucher, Philippe Schwaller, et al.
Science Advances|June 13, 2025
Negative chemical data boosts language models in reaction outcome predictionAlessandra Toniato, Alain C Vaucher, Teodoro Laino, et al.
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
Chimia|June 30, 2017
One Bronze Medal for Switzerland at the 48<sup>th</sup> International Chemistry Olympiad in Tbilisi, GeorgiaAlain C Vaucher
Journal of Chemical Theory and Computation|February 17, 2017
Steering Orbital Optimization out of Local Minima and Saddle Points Toward Lower EnergyAlain C Vaucher, Markus Reiher
Journal of Chemical Information and Modeling|July 23, 2016
Molecular Propensity as a Driver for Explorative Reactivity StudiesAlain C Vaucher, Markus Reiher
Journal of Chemical Theory and Computation|April 13, 2018
Minimum Energy Paths and Transition States by Curve OptimizationAlain C Vaucher, Markus Reiher
Communications Chemistry|November 16, 2024
Leveraging infrared spectroscopy for automated structure elucidationMarvin Alberts, Teodoro Laino, Alain C Vaucher
Journal of Chemical Theory and Computation|January 21, 2016
Accelerating Wave Function Convergence in Interactive Quantum Chemical Reactivity StudiesAdrian H Mühlbach, Alain C Vaucher, Markus Reiher
The Journal of Physical Chemistry. A|November 14, 2018
Exploration of Reaction Pathways and Chemical Transformation NetworksGregor N Simm, Alain C Vaucher, Markus Reiher
Journal of Computational Chemistry|December 19, 2015
Real-time feedback from iterative electronic structure calculationsAlain C Vaucher, Moritz P Haag, Markus Reiher
Digital Discovery|April 17, 2023
Enhancing diversity in language based models for single-step retrosynthesisAlessandra Toniato, Alain C Vaucher, Philippe Schwaller, et al.
Science Advances|June 13, 2025
Negative chemical data boosts language models in reaction outcome predictionAlessandra Toniato, Alain C Vaucher, Teodoro Laino, et al.
Pageof 3