Frontier molecular orbital theory aids single-atom catalyst design
Single-atom catalysts (SACs), with their excellent metal atom utilization and unique physicochemical properties, hold promise ...
C&EN21d
Reactivity of Carbonyl-Containing Solid Polymer Electrolytes in Lithium–Metal Batteries from First-Principles Molecular Dynamics
Department of Chemical Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan Sustainable Electrochemical Energy Development Center (SEED Center), National Taiwan ...
Nature26d
Molecular modelling articles from across Nature Portfolio
Molecular modelling encompasses all theoretical methods and computational techniques used to mimic and study the structure and behaviour of molecules, ranging from small chemical systems to large ...
SpaceNews27d
U.S. military spaceplane completes 7th mission, including advanced orbital maneuvers
Click to share on X (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Facebook (Opens in new window) Click to share on Reddit (Opens in new window) Click to ...
C&EN1mon
Synthesis, Pharmacological Evaluation, and Molecular Modeling of Phthalimide Derivatives as Monoamine Oxidase and Cholinesterase Dual Inhibitors
Department of Pharmacy, Quaid-i-Azam University, Islamabad 45320, Pakistan Department of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan ...
ki.se9mon
Department of Cell and Molecular Biology
The Department of Cell and Molecular Biology at Karolinska Institutet is a nationally leading academic research center of high international standard where science comes first and foremost. CMB ...