In a study appearing in Physical Chemistry Chemical Physics, researchers used quantum-chemical molecular dynamics simulations ...

HITHERTO the balance of evidence as to the glucose structure has favoured the adoption of γ-oxide ring formula (II.) which it is now customary to describe as a butylene- or 1: 4-oxide structure. The ...

Women have been left with painful burns and thrush from a popular deodorant used by thousands every day. Dozens of women have taken to social media to report the 'painful' rashes that require creams ...

There are many reasons that a new parent might choose to feed a baby infant formula—either exclusively or as a supplement to human milk. Many new parents find that their little one needs more than can ...

Located on the banks of the Missouri River at the Eastern end of Nebraska, Omaha is the largest city in the state. Slideshow Images: Omaha, NE, Fire-Rescue Department Located on the banks of the ...

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Accurate, yet computationally efficient energy functions are essential for state-of-the-art molecular dynamics (MD) studies of condensed phase systems. Here, a generic workflow based on a combination ...