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Force field parameters for METHYL-BACTERIOCHLOROPHYLL-A (bcl) and METHYL BACTERIOPHEOPHYTIN-A (bph) [Ceccarelli et al., J Comp Chem, 2002, pp 2002, 24, pp 129-142]
The file is a gzipped tar archive containing the directory bcl-bph, containing the files: * README: This file. --------------------Force field parameters--------------------------------- * cromo.tpg:
Mendeley Data2024-03-27 更新130
Gaussian Job Archive for C5H4O2S
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DataCite Commons2020-09-05 更新80
Gaussian Job Archive for C15H25NO3
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DataCite Commons2020-09-05 更新50
Gaussian Job Archive for C6H3MnO5
Archive of work produced using the resources of the Imperial College High Performance Computing Service.
DataCite Commons2020-09-05 更新100
Data underlying the publication: Graph theory-based exploration of structure and dynamics of surface organometallic catalysis.
The research aims to investigate the structural dynamics and configurational diversity of surface organometallic catalysts, focusing on how local strain in amorphous silica supports influences active-
DataCite Commons2025-11-04 更新50
