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Binding energies predicted by XGBoost
DIY online prediction
DFT/PBE binding energies
CO
2
RR Dataset
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Click the labels for channels and data:
Zeolite:
AEI
AEL
AET
AFG
AFI
AFN
AFO
AFR
AFS
AFT
AFV
AFX
AFY
ANA
APC
APD
ASV
ATN
ATO
ATS
ATT
ATV
AVL
AWO
AWW
BEA
BEC
BOF
BOZ
BPH
BRE
BSV
CAS
CFI
CGF
CGS
CHA
CON
CSV
CZP
DAC
DDR
DON
EMT
EON
EPI
ERI
ESV
EUO
EWS
EZT
FER
GME
HEU
IFW
IFY
ISV
ITE
KFI
LEV
LTL
MAZ
MEI
MEL
MFI
MFS
MOR
MSO
MTF
MTW
MWW
OFF
OSI
PCR
PHI
RHO
RUT
SAO
SAT
SBE
SBS
SBT
SFF
STI
STT
SZR
TON
TUN
VSV
WEI
ZON
IHW
ITH
IWS
OSO
POS
SFS
EAB
MRE
ITR
Channel:
Data:
Insititute of Theoretical and Computational Chemistry of Nanjing University
E-mail:majing@nju.edu.cn