Results 81 to 90 of about 5,136 (119)

A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry. [PDF]

J Phys Chem A
Melega L, Nottoli T, Gauss J, Lipparini F.   +3 more
europepmc   +1 more source

From Zigzag Nanoribbons to Dirac Materials: A Carbon Ring-Bridge Design Strategy. [PDF]

ACS Omega
Wang GX.
europepmc   +1 more source

Long-term susceptible fractions in networked epidemic models and their relation to the basic reproduction number. [PDF]

Sci Rep
Khong SZ, Su L, Georgiou T.
europepmc   +1 more source

Cones of Noether-Lefschetz divisors and moduli spaces of hyperkähler manifolds. [PDF]

Math Ann
Barros I, Beri P, Flapan L, Williams B.
europepmc   +1 more source

Tuning the metal-support interactions in transition metal-anchored heteroatom-doped graphene single-atom catalysts.

Phys Chem Chem Phys
van Dam AN, Vermeeren P.
europepmc   +1 more source

Elastic Stable Intramedullary Nailing (ESIN) in Diaphyseal Fractures of Both Forearm Bones in Children. [PDF]

Cureus
Talha H, Tazi Charki M, Afifi MA.
europepmc   +1 more source

Structure and Spectroscopy of Triruthenium Dodecacarbonyl, Ru₃(CO)₁₂. [PDF]

Inorg Chem
Parker SF, Fortes AD.
europepmc   +1 more source

Symmetry, gauge freedoms, and the interpretability of sequence-function relationships. [PDF]

Phys Rev Res
Posfai A, McCandlish DM, Kinney JB.
europepmc   +1 more source

The role of A in ARPES. [PDF]

J Synchrotron Radiat
Borisenko S.
europepmc   +1 more source

Equivariant electronic Hamiltonian prediction with many-body message passing. [PDF]

NPJ Comput Mater
Qian C, Vitartas V, Kermode JR, Maurer RJ.   +3 more
europepmc   +1 more source