The NAO2GTO scheme provides an efficient way to evaluate the electron repulsion integrals (ERIs) over numerical atomic orbitals (NAOs) with auxiliary Gaussian-type orbitals (GTOs). However, the ...

Reuters, the news and media division of Thomson Reuters, is the world’s largest multimedia news provider, reaching billions of people worldwide every day. Reuters provides business, financial ...

We Brits individually create on average 3 tonnes of carbon per year, or 8.2kg per day, from the food and drink we consume. So how do we reduce this? There are useful guidelines to follow when we ...

Amritanshi Pandey topped the 7th batch of BSc nursing from College of Nursing, Command Hospital, Lucknow, and was commissioned as a lieutenant in military nursing service. Recognized for ...

Carbonate minerals can be used as inorganic carbon source for microbial methanogenesis resulting in mineral dissolution under stable alkaline conditions, according to soil enrichment culture ...

Because of the considerable advantages of functional molecules as well as supramolecules, such as the low cost, light weight, flexibility, and large area preparation via the solution method, molecular ...

Photoinduced metal-to-ligand (or ligand-to-metal) charge-transfer (CT) states in metal complexes have been extensively studied, but primarily limited to CT transitions between d- and π-orbitals.

Thioxanthones are fascinating organic compounds that have found their way into many industrial and everyday applications. In the printing industry, for example, they help inks dry faster when ...