Results 1 to 10 of about 1,842,897 (316)

Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1\u3cem\u3eH\u3c/em\u3e-pyrazolyl)methyl]phenyl(di-\u3cem\u3ep\u3c/em\u3e-tolyl)phosphine [PDF]

open access: yes, 2014
Three isomers of a new heteroditopic ligand that contains a di(1H-pyrazolyl)methyl (−CHpz2) moiety connected to a di(p-tolyl)phosphine group via a para-, meta-, or ortho-phenylene spacer (pL, mL, and oL, respectively) have been synthesized by using a ...
Gardinier, James R.   +2 more
core   +1 more source

Density functional theory in transition-metal chemistry: a self-consistent Hubbard U approach

open access: yes, 2006
Transition-metal centers are the active sites for many biological and inorganic chemical reactions. Notwithstanding this central importance, density-functional theory calculations based on generalized-gradient approximations often fail to describe ...
C. Rovira   +5 more
core   +1 more source

Towards ideal topological materials: Comprehensive database searches using symmetry indicators

open access: yes, 2019
Topological materials (TMs) showcase intriguing physical properties defying expectations based on conventional materials, and hold promise for the development of devices with new functionalities.
Po, Hoi Chun   +3 more
core   +1 more source

Tailored novel phosphonate-based hybrid materials by design for diverse applications [PDF]

open access: yes, 2018
Hybrid materials are composed of an organic and an inorganic part, placed together in such a way that the final product has defined structures and properties.
Demadis, Konstantinos D.
core  

Cd3As2 is Centrosymmetric

open access: yes, 2014
This is a revised version of a manuscript that was originally posted here in February of 2014. It has been accepted at the journal Inorganic Chemistry after reviews that included those of two crystallographers who made sure all the t's were crossed and ...
Ali, Mazhar N.   +5 more
core   +1 more source

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