Results 241 to 250 of about 638,897 (327)

Ionic Metal Poly(heptazine Imides) and Single‐Atoms Interplay: Engineered Stability and Performance for Photocatalysis, Photoelectrocatalysis and Organic Synthesis

Advanced Functional Materials, EarlyView.
Poly(heptazine) imides (PHIs), a crystalline carbon nitride subclass, intercalate metals to deliver high stability, tunable electronics, and efficient charge separation. These features enable solar‐driven applications such as hydrogen evolution, CO₂ reduction, and organic synthesis.
Gabriel A. A. Diab, Izadora F. Reis, Chong Wang, Diandra Barreto, Oleksandr Savateev, Ivo F. Teixeira, Pablo Jiménez‐Calvo   +6 more
wiley   +1 more source

Discovery of new tetrazines for bioorthogonal reactions with strained alkenes via computational chemistry. [PDF]

RSC Adv
Májek M, Trtúšek M.
europepmc   +1 more source

The C++ programming language in cheminformatics and computational chemistry. [PDF]

J Cheminform, 2020
Rassokhin D.
europepmc   +1 more source

Flow‐Induced Vascular Remodeling on‐Chip: Implications for Anti‐VEGF Therapy

Advanced Functional Materials, EarlyView.
Flow‐induced vascular remodeling plays a critical role in network stabilization and function. Using a vasculature‐on‐chip system, this study reveals how physiological VEGF levels and flow affect vascular remodeling and provides insights into tumor vessel normalization.
Fatemeh Mirzapour‐Shafiyi, Elias Huber, Leonie Karr, Johnny Tong, Andreas Richard Bausch, Friedrich Christian Simmel, Karen Alim   +6 more
wiley   +1 more source

Cu‐Based MOF/TiO2 Composite Nanomaterials for Photocatalytic Hydrogen Generation and the Role of Copper

Advanced Functional Materials, EarlyView.
HKUST‐1/TiO2 composite materials show a very high photocatalytic hydrogen evolution rate which increases as a function of the irradiation time until reaching a plateau and even surpasses the performance of the 1%Pt/TiO2 material after three photocatalytic cycles.
Alisha Khan, Marie Le Pivert, Alireza Ranjbari, Diana Dragoe, Daniel Bahena‐Uribe, Christophe Colbeau‐Justin, Christian Herrero, Dorota Rutkowska‐Zbik, Johnny Deschamps, Hynd Remita   +9 more
wiley   +1 more source

Computational Chemistry: Abstracts 106-128

CHIMIA, 2009
doaj   +1 more source

Experimental and Theoretical Confirmation of Covalent Bonding in α‐Pu

Advanced Functional Materials, EarlyView.
From a combination of Reverse Monte Carlo dynamic rigid body fitting to the pair distribution functional and novel density functional approaches, the existence of covalent bonding is confirmed in α‐plutonium alongside other bonding types (i.e. mixed bonding schemes).
Alexander R. Muñoz, Matthew S. Cook, David C. Arellano, AM Milinda Abeykoon, Jeremy N. Mitchell, Sarah C. Hernandez, Eric D. Bauer, Christopher A. Mizzi, Boris Maiorov, Neil Harrison, W. Adam Phelan   +10 more
wiley   +1 more source

Development and experimental validation of 3D QSAR models for the screening of thyroid peroxidase inhibitors using integrated methods of computational chemistry. [PDF]

Heliyon
Rudresh BB, Tater AK, Barot V, Patel N, Desai A, Mitra S, Deshpande A.   +6 more
europepmc   +1 more source

A Computational Chemistry Study of the Influence that an Exhaust Molecule Gives to Oxygen Sensor Electrode Surface Reaction

, 2007
Miho Ito, Norikazu Hosokawa, Jun Hasegawa, Toshitaka Saito   +3 more
openalex   +2 more sources