Results 91 to 100 of about 15,520,995 (329)

Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?

open access: yes, 2017
Density matrix embedding theory (DMET) [Phys. Rev. Lett.2012, 109, 186404] has been demonstrated as an efficient wave-function-based embedding method to treat extended systems.
Bernales, Varinia   +2 more
core   +2 more sources

Cadmium trapping by C60 and B-, Si-, and N-doped C60 [PDF]

open access: yes, 2019
The removal of heavy metals from the environment has attracted considerable attention as they are toxic and non-biodegradable or destroyable. To minimize their hazard, they should be removed through either physical or chemical capture. Cadmium is a heavy
Abiman, Poobalasingam   +4 more
core   +1 more source

Disordered but rhythmic—the role of intrinsic protein disorder in eukaryotic circadian timing

open access: yesFEBS Letters, EarlyView.
Unstructured domains known as intrinsically disordered regions (IDRs) are present in nearly every part of the eukaryotic core circadian oscillator. IDRs enable many diverse inter‐ and intramolecular interactions that support clock function. IDR conformations are highly tunable by post‐translational modifications and environmental conditions, which ...
Emery T. Usher, Jacqueline F. Pelham
wiley   +1 more source

Possible indicators for low dimensional superconductivity in the quasi-1D carbide Sc3CoC4 [PDF]

open access: yes, 2010
The transition metal carbide Sc3CoC4 consists of a quasi-one-dimensional (1D) structure with [CoC4]$_{\inft}$ polyanionic chains embedded in a scandium matrix. At ambient temperatures Sc3CoC4 displays metallic behavior.
C Hauf   +6 more
core   +2 more sources

Mechanisms of parasite‐mediated disruption of brain vessels

open access: yesFEBS Letters, EarlyView.
Parasites can affect the blood vessels of the brain, often causing serious neurological problems. This review explains how different parasites interact with and disrupt these vessels, what this means for brain health, and why these processes matter. Understanding these mechanisms may help us develop better ways to prevent or treat brain infections in ...
Leonor Loira   +3 more
wiley   +1 more source

Bis[tris(ethane-1,2-diamine)nickel(II)] octacyanidomolybdate(IV) pentahydrate

open access: yesActa Crystallographica Section E, 2010
In the title compound, [Ni(C2H8N2)3]2[Mo(CN)8]·5H2O, the NiII ion is coordinated by six N atoms from three ethane-1,2-diamine ligands in a distorted octahedral geometry, while the MoIV atom is coordianted by eight cyanide ligands.
Qian Jun, Chi Zhang
doaj   +1 more source

Complexation of lithium and sodium cations with B-phosphorylate ethers, modelling terminal groups of organophosphorus podands. An experimental and theoretical study [PDF]

open access: yes, 1992
The organophosphorus compounds o-Ph2P(O)C6H4OCH3 and Ph2P(O)C2H4OCH3, which are analogs of podands' terminal groups, have been synthesized. The thermodynamic characteristics of their complexation with LiNCS and NaNCS in acetonitrile were obtained by ...
Baulin, V.E.   +5 more
core   +3 more sources

Holography from Conformal Field Theory [PDF]

open access: yes, 2009
The locality of bulk physics at distances below the AdS length scale is one of the remarkable aspects of AdS/CFT duality, and one of the least tested. It requires that the AdS radius be large compared to the Planck length and the string length.
Idse Heemskerk   +3 more
semanticscholar   +1 more source

The newfound relationship between extrachromosomal DNAs and excised signal circles

open access: yesFEBS Letters, EarlyView.
Extrachromosomal DNAs (ecDNAs) contribute to the progression of many human cancers. In addition, circular DNA by‐products of V(D)J recombination, excised signal circles (ESCs), have roles in cancer progression but have largely been overlooked. In this Review, we explore the roles of ecDNAs and ESCs in cancer development, and highlight why these ...
Dylan Casey, Zeqian Gao, Joan Boyes
wiley   +1 more source

N,N′-Dineopentylnaphthalene-1,8-diamine

open access: yesActa Crystallographica Section E, 2010
In the title compound, C20H30N2, all bond distances and angles fall within the usual ranges but the C(ipso)—N distances [1.391 (5) and 1.398 (4) Å] are slightly shorter than the corresponding typical ...
Ilia A. Guzei   +2 more
doaj   +1 more source

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