Results 291 to 300 of about 174,741 (346)

Lennard-Jones Parameter Fitting for Gold/Water Interaction Based on Structural Analysis: A QM, MM, and QM/MM Study. [PDF]

Nanomaterials (Basel)
I Blazquez PB, Pedron FN, Torres AA, de Moraes EE, Cole I, Martins EF.   +5 more
europepmc   +1 more source

Differences and similarities in the chemical bonding of intermetallic phases in the Ca-Al-Pt system. [PDF]

Chem Sci
Müller PC, Reitz LS, Engel S, Dronskowski R, Janka O.   +4 more
europepmc   +1 more source

Competition between radiative and predissociative decay mechanisms in excited electronic states of CH radical.

Phys Chem Chem Phys
Sokolov A, Yurchenko SN, Tennyson J.
europepmc   +1 more source

Ab-initio phonon calculation for Ba6NaCu3Te14 / P6_3/mcm (193) / materials id 569168

Atsushi Togo
openalex   +1 more source

Ab-initio phonon calculation for K2Cd3S4 / Pnma (62) / materials id 18101

Atsushi Togo
openalex   +1 more source

Ab-initio phonon calculation for NdRhO3 / Pnma (62) / materials id 4582

Atsushi Togo
openalex   +1 more source

Ab-initio phonon calculation for Li2P2PdO7 / Imma (74) / materials id 616572

Atsushi Togo
openalex   +1 more source

Ab-initio phonon calculation for RbSb3Se5 / P2_1/c (14) / materials id 4721

Atsushi Togo
openalex   +1 more source

Ab-initio phonon calculation for CsCaF3 / Pm-3m (221) / materials id 7104

Atsushi Togo
openalex   +1 more source