Results 201 to 210 of about 727,356 (268)

Band Alignment in In‐Oxo Metal Porphyrin SURMOF Heterojunctions

Advanced Functional Materials, EarlyView.
Porphyrin core metalation in indium‑oxo SURMOFs enables systematic tuning of band edge positions without altering the crystal structure. First‑principles calculations reveal type‑I and type‑II heterostructures as well as multi‑junction energy cascades, establishing a modular strategy for exciton funneling and charge separation in optoelectronic ...
Puja Singhvi, Nina Vankova, Thomas Heine
wiley   +1 more source

Effects of Relative Humidity on Dissolution and Carbonation Potential of Portlandite. [PDF]

Langmuir
Saeki N, Maruyama I, Honorio T.
europepmc   +1 more source

Metadynamics reveals luteolin-mediated conformational stabilization against avapritinib-resistant PDGFRα D842V/G680R GIST. [PDF]

Sci Rep
El Khattabi K, Akachar J, Lemriss S, El Jaoudi R, Zouaidia F.   +4 more
europepmc   +1 more source

DFTB Parametrization at the Example of Platinum-Implementation, Validation and Practical Considerations. [PDF]

J Comput Chem
Purtscher FRS, Penz A, Gallmetzer JM, Gamper J, Hofer TS.   +4 more
europepmc   +1 more source

Improving Conformational Ensembles of Folded Proteins in Go̅Martini. [PDF]

J Chem Theory Comput
Kalutskii M, Wilson CJ, Grubmüller H, Igaev M.   +3 more
europepmc   +1 more source

A biologically plausible decision-making model based on interacting neural populations. [PDF]

PLoS One
Baspinar E, Cecchini G, DePass M, Andujar M, Pani P, Ferraina S, Moreno-Bote R, Cos I, Destexhe A.   +8 more
europepmc   +1 more source