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János Daru

Showing results (1-10 of 15) with videos related to

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Journal of Chemical Theory and Computation|November 19, 2015
Divided Saddle Theory: A New Idea for Rate Constant CalculationJános Daru, András Stirling
The Journal of Organic Chemistry|September 22, 2011
Mechanism of the Pechmann reaction: a theoretical studyJános Daru, András Stirling
The Journal of Physical Chemistry Letters|February 2, 2019
Restricting Solvation to Two Dimensions: Soft Landing of Microsolvated Ions on Inert SurfacesJános Daru, Prashant Kumar Gupta, Dominik Marx
Physical Review Letters|December 9, 2022
Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water BenchmarkJános Daru, Harald Forbert, Jörg Behler, et al.
Journal of Chemical Theory and Computation|July 1, 2026
Is a Bit over Okay? - Overcomplete Sets of Localized Molecular OrbitalsÁgnes Szabados, János Daru, András Gombás, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 7, 2014
Mechanistic study of silver-mediated furan formation by oxidative couplingJános Daru, Zsuzsanna Benda, Ádám Póti, et al.
Journal of Chemical Theory and Computation|January 14, 2025
Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid WaterNore Stolte, János Daru, Harald Forbert, et al.
The Journal of Physical Chemistry Letters|November 28, 2024
Nuclear Quantum Effects in Liquid Water Are Marginal for Its Average Structure but Significant for DynamicsNore Stolte, János Daru, Harald Forbert, et al.
Journal of Chemical Theory and Computation|June 20, 2024
Emerging Conformational-Analysis Protocols from the RTCONF55-16K Reaction Thermochemistry Conformational Benchmark SetBence Balázs Mészáros, Károly Kubicskó, Dávid Dorián Németh, et al.
Angewandte Chemie (International Ed. in English)|April 30, 2025
Guideline for Analysis and Prevention of Contamination CatalysisJános Daru, Zsombor Gonda, Zoltán May, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|November 19, 2015
Divided Saddle Theory: A New Idea for Rate Constant CalculationJános Daru, András Stirling
The Journal of Organic Chemistry|September 22, 2011
Mechanism of the Pechmann reaction: a theoretical studyJános Daru, András Stirling
The Journal of Physical Chemistry Letters|February 2, 2019
Restricting Solvation to Two Dimensions: Soft Landing of Microsolvated Ions on Inert SurfacesJános Daru, Prashant Kumar Gupta, Dominik Marx
Physical Review Letters|December 9, 2022
Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water BenchmarkJános Daru, Harald Forbert, Jörg Behler, et al.
Journal of Chemical Theory and Computation|July 1, 2026
Is a Bit over Okay? - Overcomplete Sets of Localized Molecular OrbitalsÁgnes Szabados, János Daru, András Gombás, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 7, 2014
Mechanistic study of silver-mediated furan formation by oxidative couplingJános Daru, Zsuzsanna Benda, Ádám Póti, et al.
Journal of Chemical Theory and Computation|January 14, 2025
Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid WaterNore Stolte, János Daru, Harald Forbert, et al.
The Journal of Physical Chemistry Letters|November 28, 2024
Nuclear Quantum Effects in Liquid Water Are Marginal for Its Average Structure but Significant for DynamicsNore Stolte, János Daru, Harald Forbert, et al.
Journal of Chemical Theory and Computation|June 20, 2024
Emerging Conformational-Analysis Protocols from the RTCONF55-16K Reaction Thermochemistry Conformational Benchmark SetBence Balázs Mészáros, Károly Kubicskó, Dávid Dorián Németh, et al.
Angewandte Chemie (International Ed. in English)|April 30, 2025
Guideline for Analysis and Prevention of Contamination CatalysisJános Daru, Zsombor Gonda, Zoltán May, et al.
Pageof 2