Results 121 to 130 of about 136,956 (187)

Identify and validate a novel ubiquitination-related biomarker for thyroid cancer prognosis and immunotherapy. [PDF]

open access: yesFront Oncol
Li Y   +11 more
europepmc   +1 more source

Evaluation of Process Parameters in the Development of Ternary Ketoprofen Amorphous Solid Dispersions via Hot Melt Extrusion. [PDF]

open access: yesPharmaceutics
Stjepanović A   +6 more
europepmc   +1 more source

ICULD-0043 Bende (F12) : wordlist

open access: yesICULD-0043 Bende (F12) : wordlist
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A simple and efficient CCSD(T)-F12 approximation

The Journal of Chemical Physics, 2007
A new explicitly correlated CCSD(T)-F12 approximation is presented and tested for 23molecules and 15 chemical reactions. The F12 correction strongly improves the basis set convergence of correlation and reaction energies. Errors of the Hartree-Fock contributions are effectively removed by including MP2 single excitations into the auxiliary basis set ...
Thomas B, Adler   +2 more
openaire   +3 more sources

Multireference explicitly correlated F12 theories

Molecular Physics, 2013
We review our recent developments in multireference explicitly correlated F12 theories (explicitly correlated internally contracted multireference perturbation and multireference configuration interaction theories) that achieve near-basis-set-limit accuracy of the underlying multireference electron correlation methods with basis sets of medium size ...
Hans-Joachim Werner, Toru Shiozaki
exaly   +2 more sources

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