Toward identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method

Journal of Physical Chemistry B

Volumn 115, Issue 10, 2011, Pages 2465-2469

  Antoniou, Dimitri ^a   Schwartz, Steven D ^a,b  

^a ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

^b INSTITUT DES HAUTES ÉTUDES SCIENTIFIQUES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

KERNEL PCA; KERNEL PRINCIPAL COMPONENT ANALYSIS; LINEARIZATION APPROXIMATION; REACTION COORDINATES; TRANSITION STATE; TRANSITION STATE ENSEMBLES;

PRINCIPAL COMPONENT ANALYSIS;

EID: 79952585022     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp111682x     Document Type: Article

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