Sentence examples for atomic set from inspiring English sources

In a further step the normalization of the atomic set was used to identify pairs of corresponding atoms.

Atomic," set in the hours leading up to the first atomic-bomb test, Trinity, on July 16 , 1945 has a few performances remaining at the Met.

All quantum chemical calculations were performed at the level of density functional theory (DFT) with B3LYP functional using 6-311G (d,p) basis atomic set.

All quantum chemical calculations were carried out at level of density functional theory (DFT) with B3LYP functional using 6-311++ 6-311++ basis atomic set.

The John Adams opera "Dr. Atomic," set in the hours leading up to the first atomic-bomb test, Trinity, on July 16 , 1945 has a few performances remaining at the Met.

Opera and science don't make for the most likely companions, though a work such as John Adams's recent Dr Atomic, set in Los Alamos at the time of the first atomic bomb tests, shows there is mileage to be had from the subject.

The CIF dictionary cif_dft.dic, developed by the advisory board of the TCOD, provides data items for the description of basis sets, pseudopotentials, atomic settings and exchange-correlation functionals.

Basis sets provide sets of wave functions to create molecular orbitals and can be categorized into plane wave basis sets or atomic basis sets.

Byrne fronts the song Fantastic Man, going up against one of the Mahotella Queens in a sing-and-dance-off, but he's a presence throughout the joyous Atomic Bomb! set, clearly having a blast.

The atomic basis set (W7.0-s2p2d2f1 for Tungsten and Se7.0-s3p3d1 for Selenium) as well as other parameters were converged to a perfect agreement with reference GGA results of our Quantum-ESPRESSO calculations and ref. 8.

Birkeland's story is a fascinating one, evoking the manic, punishing era of polar exploration as it overlapped with early-20th-century atomic physics, set against a background of Norway's struggle for independence and the outbreak of World War I.