Communities and Collections
Shown below is a list of communities and the collections and sub-communities within them. Click on a name to view that community or collection home page.
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BSC host
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1a
1a -
2a
2a -
3-layer input for IP calculation of A-T base pair
zip file for 3-layer input for IP calculation of A-T base pair -
3_layer_IP
3_layer_IP -
3-layer_QMMM_input
3-layer_QMMM_input -
4a
4a -
5a
5a -
6a
6a -
7a
7a -
7a_
7a_ -
8a
8a -
8a_
8a_ -
active_inactive_molecularOER
active_inactive_molecularOER -
Ammonia_Borane_Dehydrogenation
Ammonia_Borane_Dehydrogenation -
base_highT_benzannulations
base_highT_benzannulations -
Catalytic_mechanism_and_endo-to-exo
Catalytic_mechanism_and_endo-to-exo -
CBS-QB3_Monoterpenes
CBS-QB3_Monoterpenes -
CeO2_-_C2H4_oxychlorination
CeO2_-_C2H4_oxychlorination -
Cerium,Praseodymium,Neodymium
Cerium,Praseodymium,Neodymium -
Chem__Eur__J_
Chem__Eur__J_ -
CO
CO -
CO2
CO2 -
CO2 conversion to phenyl isocyanates by uranium(VI) bis(imido) complexes
Uranium_(VI)_CO2_activation -
CO2RR_using_imidazolium_modified_ZnSe_QDs
CO2RR_using_imidazolium_modified_ZnSe_QDs -
cod
cod -
CoVFeFe
CoVFeFe -
datacor
datacor -
DataCor-Dimers
DataCor-Dimers -
EaOC_EeOC
EaOC_EeOC -
Ethane_oxyhalogenation_on_FePO4
Ethane_oxyhalogenation_on_FePO4 -
EuOCl
EuOCl -
EuOCl_surfaces
EuOCl_surfaces -
FePO4_HCl_adsorption
FePO4_HCl_adsorption -
FePO4_HX_oxidation
FePO4_HX_oxidation -
G4_Monoterpenes
G4_Monoterpenes -
H2O
H2O -
H_Diffusion_in_nickel_oxy_hydroxide
H_Diffusion_in_nickel_oxy_hydroxide -
Highly_Selective_Hydrogenation_of_Amides_Catalysed_by_a
Highly_Selective_Hydrogenation_of_Amides_Catalysed_by_a -
Homogeneous_Reforming_of_Aqueous_Ethylene_Glycol
Homogeneous_Reforming_of_Aqueous_Ethylene_Glycol -
ICIQ
ICIQ -
indole_cyclopeptide
indole_cyclopeptide -
Indole_Onium_Ylides
Indole_Onium_Ylides -
Influence_of_Cys_Concentration_on_Binding_Mode_of_CdSe_CdS_QDs
Influence_of_Cys_Concentration_on_Binding_Mode_of_CdSe_CdS_QDs -
input_files_for_3_layer_IP
input_files_for_3_layer_IP -
IP_files
IP_files -
IP_input_
IP_input_ -
Iridium_polyhydride_complexes
Iridium_polyhydride_complexes -
KNbO3_epitaxial
KNbO3_epitaxial -
M06-2X_Cations
M06-2X_Cations -
M06-2X_Monoterpenes
M06-2X_Monoterpenes -
M06-2X_Transition_States
M06-2X_Transition_States -
Mo3S4_benchmark_2020
Mo3S4_benchmark_2020 -
MoS2
MoS2 -
NaHCO3
NaHCO3 -
NiOOH
NiOOH -
NOER
NOER -
PhCO2Na
PhCO2Na -
(PhCO)2O
(PhCO)2O -
POMS_upload
POMS_upload -
PtW6-HER
PtW6-HER -
PtW6-HER-data
PtW6-HER-data -
PubChemDFT
PubChemDFT -
Rational_Design_of_Co_Catalysts_for_the_Deaminative_Hydrogenat
Rational_Design_of_Co_Catalysts_for_the_Deaminative_Hydrogenat -
RhAu_Rf_Cl_Exchange
RhAu_Rf_Cl_Exchange -
RhcodCO3H
RhcodCO3H -
Rh_Stay_or_Go
Rh_Stay_or_Go -
Shape control in concave metal nanoparticles by etching
The Pt surfaces with different HCl coverage. -
Sodium_mediated_Ferration
Sodium_mediated_Ferration -
Stereoselectivity_in_actKR_variants
Stereoselectivity_in_actKR_variants -
Substituted Ferrocenes
Substituted Ferrocenes -
TS13a
TS13a -
TS2a
TS2a -
TS2f
TS2f -
TS5a
TS5a -
TS6a
TS6a -
TS7a
TS7a -
TS7b
TS7b -
Universal Scaling Relationships for the Rational Design of Molecular Water Oxidation Catalysts with Near-Zero Overpotential
Calculations associated with the manuscript. -
ybtrensal
ybtrensal -
zipped_input_3_layer_IP
zipped_input_3_layer_IP
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