Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
The comparison of post-treatment quality of life after at least two years of follow-up (≥ 24 months) between robotic radical prostatectomy and radiotherapy for intermediate-risk localized prostate cancer. [PDF]
Bedir S +5 more
europepmc +1 more source
Through Diamond Robust Surface Enhanced Raman Spectroscopy
Thin film diamond growth offers a unique opportunity for Surface Enhanced Raman Spectroscopy (SERS); the encapsulation of plasmonic nanostructures within a transparent, chemically stable, and physically robust coating. The diamond acts as both a window and protective layer, enabling illumination of the plasmonic nanostructures through the diamond ...
Kieran N. Twaddle +4 more
wiley +1 more source
Smoking and obsessive-compulsive symptoms in patients with schizophrenia, schizoaffective disorder or bipolar disorder using electronic mental health records. [PDF]
Cohen HR +12 more
europepmc +1 more source
Covalent organic frameworks (COFs) with metals have been recognized as versatile platforms for photocatalytic CO2 reduction (CO2PRR). Herein, an overview of metal integration strategies for COFs is systematically summarized. Regulatory mechanisms and structure–activity relationships between metal integration and COF‐based CO2PRR are emphasized.
Jie He +5 more
wiley +1 more source
An improved adaptive large neighborhood search algorithm for the flexible two-tier vehicle routing problem with drone stations. [PDF]
Li Q, Yan W, Gonsalves T.
europepmc +1 more source
Imaging of Biphoton States: Fundamentals and Applications
Quantum states of two photons exhibit a rich polarization and spatial structure, which provides a fundamental resource of strongly correlated and entangled states. This review analyzes the physics of these intriguing properties and explores the various techniques and technologies available to measure them, including the state of the art of their ...
Alessio D'Errico, Ebrahim Karimi
wiley +1 more source
An Adaptive Multiparameter Penalty Selection Method for Multiconstraint and Multiblock ADMM. [PDF]
Lozenski L, McCann MT, Wohlberg B.
europepmc +1 more source

