Results 121 to 130 of about 8,425 (228)

C5H9N Isomers: Pointers to Possible Branched Chain Interstellar Molecules

open access: yes, 2017
The astronomical observation of isopropyl cyanide further stresses the link between the chemical composition of the ISM and molecular composition of the meteorites in which there is a dominance of branched chain amino acids as compared to the straight ...
Arunan, Elangannan   +3 more
core   +1 more source

From Chemistry to Functionality: Trends for the Length Dependence of the Thermopower in Molecular Junctions

open access: yes, 2015
We present a systematic ab-initio study of the length dependence of the thermopower in molecular junctions. The systems under consideration are small saturated and conjugated molecular chains of varying length attached to gold electrodes via a number of ...
Hüser, Falco, Solomon, Gemma C.
core   +2 more sources

The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)

open access: yesBeilstein Journal of Organic Chemistry
The Groebke–Blackburn–Bienaymé (GBB) three-component reaction, discovered in 1998, is a very efficient strategy to assemble imidazo[1,2-a]-heterocycles starting from amidines, aldehydes and isocyanides.
Cristina Martini   +2 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of chlorido(2,6-dimethylphenyl isocyanide)[N′-(2,6-dimethylphenyl)-N-(pyridin-2-yl)carbamimidoyl]platinum(II)

open access: yesActa Crystallographica Section E: Crystallographic Communications
In the title compound, [Pt(C14H14N3)Cl(C9H9N)], the platinum atom has a square-planar geometry. In the crystal, dimers with R22(8) motifs are formed by pairs of N—H...N hydrogen bonds.
Olga V. Repina   +9 more
doaj   +1 more source

Development and mechanistic studies of calcium–BINOL phosphate-catalyzed hydrocyanation of hydrazones

open access: yesBeilstein Journal of Organic Chemistry
Asymmetric hydrocyanation of hydrazones, catalyzed by a calcium–BINOL phosphate complex, has been studied for the first time both experimentally and computationally with DFT methods.
Carola Tortora   +7 more
doaj   +1 more source

Theoretical dissociation energies for ionic molecules [PDF]

open access: yes
Ab initio calculations at the self-consistent-field and singles plus doubles configuration-interaction level are used to determine accurate spectroscopic parameters for most of the alkali and alkaline-earth fluorides, chlorides, oxides, sulfides ...
Bauschlicher, C. W., Jr.   +2 more
core   +1 more source

Corrigendum: Exploitation of the Ugi 5-Center-4-Component Reaction (U-5C-4CR) for the Generation of Diverse Libraries of Polycyclic (Spiro)Compounds

open access: yesFrontiers in Chemistry, 2018
Lisa Moni   +5 more
doaj   +1 more source

Non-innocent behaviour of aromatic isocyanides under visible light: a pathway to thioformimidates and dehydroalanine. [PDF]

open access: yesChem Sci
Wu M   +8 more
europepmc   +1 more source

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