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From Enhanced Sampling to Reaction Profiles:

Enrico Trizio (11373919) ; Michele Parrinello (240049)
https://figshare.com/articles/journal_contribution/From_Enhanced_Sampling_to_Reaction_Profiles/16556377. , 2021

Link: https://doi.org/10.1021/acs.jpclett.1c02317.s001

RT Journal
T1 <Title>From Enhanced Sampling to Reaction Profiles</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16556377&Exemplar=1&LAN=DE
				
A1 Enrico Trizio (11373919)
A1 Michele Parrinello (240049)
YR 2021
K1 Biophysics
K1 Infectious Diseases
K1 Virology
K1 Space Science
K1 Environmental Sciences not elsewhere classified
K1 Biological Sciences not elsewhere classified
K1 Mathematical Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Physical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 often allow reducing
K1 multistep chemical processes
K1 previous discrimination approaches
K1 different metastable basins
K1 efficient collective variables
K1 projected data follows
K1 previous approaches
K1 different basins
K1 collective variables
K1 efficient sampling
K1 state systems
K1 reaction profiles
K1 reaction free
K1 preassigned distribution
K1 neural network
K1 multibasin scenario
K1 latter case
K1 first collect
K1 first check
K1 enhanced sampling
K1 energy profile
K1 dimensional manifold
K1 computational efficiency
K1 clear representation
JF https://figshare.com/articles/journal_contribution/From_Enhanced_Sampling_to_Reaction_Profiles/16556377
LK http://dx.doi.org/https://doi.org/10.1021/acs.jpclett.1c02317.s001
DO https://doi.org/10.1021/acs.jpclett.1c02317.s001
SF ELIB - SuUB Bremen

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