Results 151 to 160 of about 4,874,213 (359)

Congenital Orbital Fibrosis: Molecular Genetic Analysis by Whole-Exome and Mitochondrial Genome Sequencing [PDF]

, 2017
JaeSang Ko, Hyun Joo Lee, Jin‐Sung Lee, Jin Sook Yoon   +3 more
openalex   +1 more source

Electroactive Metal–Organic Frameworks for Electrocatalysis

Advanced Functional Materials, EarlyView.
Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska, Yutong Luo, Ruyan Zhao, Jianjun Zhang, Mingchao Wang, Xinliang Feng, Eike Brunner, Stefan Kaskel   +7 more
wiley   +1 more source

A Quantitative Molecular Orbital Perspective of the Chalcogen Bond. [PDF]

ChemistryOpen, 2021
de Azevedo Santos L, van der Lubbe SCC, Hamlin TA, Ramalho TC, Matthias Bickelhaupt F.   +4 more
europepmc   +2 more sources

In Silico Design of Natural Inhibitors of ApoE4 from the Plant Moringa oleifera: Molecular Docking and Ab Initio Fragment Molecular Orbital Calculations. [PDF]

Molecules, 2023
Shaji D, Nagura Y, Sabishiro H, Suzuki R, Kurita N.   +4 more
europepmc   +1 more source

Relative gas-phase acidities of glucopyranose from molecular orbital calculations [PDF]

, 1999
Brad Mulroney, J. Barrie Peel, John C. Traeger   +2 more
openalex   +1 more source

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

On‐Surface Indigo‐Based Bimolecular Coordination Networks with Programmable Regular or Vitreous Structure

Advanced Functional Materials, EarlyView.
A previously unreported coordination motif stabilising single Fe atoms by indigo chelation and pyridyl coordination on Au(111) has been revealed. By using planar tritopic pyridyl linkers (TPyB), extended 2D porous networks of indigo3(TPyB)2Fe6 form. These networks can be crystalline or vitreous and offer an environment where individual coordination ...
Hongxiang Xu, Ritam Chakraborty, Biao Yang, Dennis Meier, Joachim Reichert, Svetlana Klyatskaya, Mario Ruben, Shobhana Narasimhan, Johannes V. Barth, Anthoula C. Papageorgiou   +9 more
wiley   +1 more source

A density functional theory-based exploration of structure–property relationships in fluorinated antiferroelectric liquid crystal compounds

Discover Applied Sciences
This study presents a comprehensive density functional theory investigation of a homologous series of chiral smectic liquid crystalline compounds, denoted as nF6R (n = 1–6), featuring fluorinated terminal chains and a rigid biphenylyl benzoate core.
Adrish Chakraborty, Przemyslaw Kula, Debanjan Bhattacharjee, Ayon Bhattacharjee   +3 more
doaj   +1 more source

Using Balloons to Model Pi-Conjugated Systems and to Teach Frontier Molecular Orbital Theory [PDF]

, 2018
Daniel J. Swartling, Janet G. Coonce, Derek J. Cashman   +2 more
openalex   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source