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Physical Chemistry Chemical Physics : PCCP
|
May 30, 2018
Langevin behavior of the dielectric decrement in ionic liquid water mixtures
Esther Heid, Borja Docampo-Álvarez, Luis M Varela, et al.
Journal of Chemical Information and Modeling
|
September 29, 2021
EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates
Esther Heid, Samuel Goldman, Karthik Sankaranarayanan, et al.
The Journal of Chemical Physics
|
September 8, 2025
The density isobar of water: A comparative study of vdW-DF-cx and RPBE-D3
Nina Bučková, Nico Unglert, Johannes Schörghuber, et al.
Journal of the American Chemical Society
|
December 2, 2022
Machine-Learning-Guided Discovery of Electrochemical Reactions
Andrew F Zahrt, Yiming Mo, Kakasaheb Y Nandiwale, et al.
Chemical Science
|
June 10, 2022
Similarity based enzymatic retrosynthesis
Karthik Sankaranarayanan, Esther Heid, Connor W Coley, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 18, 2015
Additive polarizabilities in ionic liquids
Carlos E S Bernardes, Karina Shimizu, José Nuno Canongia Lopes, et al.
The Journal of Physical Chemistry Letters
|
February 28, 2020
Understanding the Nature of Nuclear Magnetic Resonance Relaxation by Means of Fast-Field-Cycling Relaxometry and Molecular Dynamics Simulations-The Validity of Relaxation Models
Philipp Honegger, Viviane Overbeck, Anne Strate, et al.
Digital Discovery
|
October 4, 2024
Exploring inhomogeneous surfaces: Ti-rich SrTiO<sub>3</sub>(110) reconstructions <i>via</i> active learning
Ralf Wanzenböck, Esther Heid, Michele Riva, et al.
Journal of Hazardous Materials
|
July 17, 2017
Thioglycolate-based task-specific ionic liquids: Metal extraction abilities vs acute algal toxicity
Sonja Platzer, Raphlin Leyma, Sara Wolske, et al.
Chemical Science
|
June 24, 2021
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
Yanfei Guan, Connor W Coley, Haoyang Wu, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 42) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
May 30, 2018
Langevin behavior of the dielectric decrement in ionic liquid water mixtures
Esther Heid, Borja Docampo-Álvarez, Luis M Varela, et al.
Journal of Chemical Information and Modeling
|
September 29, 2021
EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates
Esther Heid, Samuel Goldman, Karthik Sankaranarayanan, et al.
The Journal of Chemical Physics
|
September 8, 2025
The density isobar of water: A comparative study of vdW-DF-cx and RPBE-D3
Nina Bučková, Nico Unglert, Johannes Schörghuber, et al.
Journal of the American Chemical Society
|
December 2, 2022
Machine-Learning-Guided Discovery of Electrochemical Reactions
Andrew F Zahrt, Yiming Mo, Kakasaheb Y Nandiwale, et al.
Chemical Science
|
June 10, 2022
Similarity based enzymatic retrosynthesis
Karthik Sankaranarayanan, Esther Heid, Connor W Coley, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 18, 2015
Additive polarizabilities in ionic liquids
Carlos E S Bernardes, Karina Shimizu, José Nuno Canongia Lopes, et al.
The Journal of Physical Chemistry Letters
|
February 28, 2020
Understanding the Nature of Nuclear Magnetic Resonance Relaxation by Means of Fast-Field-Cycling Relaxometry and Molecular Dynamics Simulations-The Validity of Relaxation Models
Philipp Honegger, Viviane Overbeck, Anne Strate, et al.
Digital Discovery
|
October 4, 2024
Exploring inhomogeneous surfaces: Ti-rich SrTiO<sub>3</sub>(110) reconstructions <i>via</i> active learning
Ralf Wanzenböck, Esther Heid, Michele Riva, et al.
Journal of Hazardous Materials
|
July 17, 2017
Thioglycolate-based task-specific ionic liquids: Metal extraction abilities vs acute algal toxicity
Sonja Platzer, Raphlin Leyma, Sara Wolske, et al.
Chemical Science
|
June 24, 2021
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
Yanfei Guan, Connor W Coley, Haoyang Wu, et al.
Page
of 5