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Welcome to the quantum chemistry repository of Jagiellonian University!
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Discover
Subject
- 347
Spin crossover
- 195
Porphyrinoids
- 177
Transition metal complexes
- 121
Metalloenzymes
- 121
Reaction mechanisms
- 121
Tautomerism
- 74
Crystal structure
- 74
Iron
- 74
Spin states
- 34
Metallocenes
-
next >
Method
- 160
U-DFT
- 97
UB3LYP
- 63
DFT
- 46
SLA PW PBX PBC
- 32
CASSCF
- 31
CASPT2
- 24
RB3LYP
- 16
SLA PW PBE PBE
ioChem-BD sofware is up!
Welcome to the quantum chemistry repository of Jagiellonian University!
Repository related news will appear here.
Discover
Subject
- 347 Spin crossover
- 195 Porphyrinoids
- 177 Transition metal complexes
- 121 Metalloenzymes
- 121 Reaction mechanisms
- 121 Tautomerism
- 74 Crystal structure
- 74 Iron
- 74 Spin states
- 34 Metallocenes
- next >
Method
- 160 U-DFT
- 97 UB3LYP
- 63 DFT
- 46 SLA PW PBX PBC
- 32 CASSCF
- 31 CASPT2
- 24 RB3LYP
- 16 SLA PW PBE PBE