Results 101 to 110 of about 2,752,747 (293)

Suppression of Hydrogen Evolution Reaction in Electrochemical N2 Reduction Using Single-Atom Catalysts: A Computational Guideline

open access: yesACS Catalysis, 2018
We studied electrochemical nitrogen reduction reactions (NRR) to ammonia on single atom catalysts (SACs) anchored on defective graphene derivatives by density functional calculations.
C. Choi   +5 more
semanticscholar   +1 more source

3,4-Dimethyl-1H-1,2,4-triazepino[2,3-a]benzimidazol-2(3H)-one

open access: yesActa Crystallographica Section E, 2010
In the molecule of the title compound, C12H12N4O, a C atom and an N atom of the benzimidazole fused-ring portion are part of a seven-membered ring; this ring adopts a boat-shaped conformation (with the fused-ring atoms representing the stern and the sp3 ...
Asmae Saber   +4 more
doaj   +1 more source

Strong Analytic Controllability for Hydrogen Control Systems

open access: yes, 2004
The realization and representation of so(4,2) associated with the hydrogen atom Hamiltonian are derived. By choosing operators from the realization of so(4,2) as interacting Hamiltonians, a hydrogen atom control system is constructed, and it is proved ...
Chi, Quo-Shin   +3 more
core   +1 more source

The High Chemofidelity of Metal-Catalyzed Hydrogen Atom Transfer.

open access: yesAccounts of Chemical Research, 2018
The implementation of any chemical reaction in a structurally complex setting ( King , S. M. J. Org. Chem. 2014 , 79 , 8937 ) confronts structurally defined barriers: steric environment, functional group reactivity, product instability, and through-bond ...
Samantha A. Green   +5 more
semanticscholar   +1 more source

Crystal structures of isoquinoline–3-chloro-2-nitrobenzoic acid (1/1) and isoquinolinium 4-chloro-2-nitrobenzoate

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2015
In each of the title isomeric compounds, C9H7.3N·C7H3.7ClNO4, (I), and C9H8N·C7H3ClNO4, (II), of isoquinoline with 3-chloro-2-nitrobenzoic acid and 4-chloro-2-nitrobenzoic acid, the two components are linked by a short hydrogen bond between a base N atom
Kazuma Gotoh, Hiroyuki Ishida
doaj   +1 more source

Gauge invariant hydrogen atom Hamiltonian

open access: yes, 2010
For quantum mechanics of a charged particle in a classical external electromagnetic field, there is an apparent puzzle that the matrix element of the canonical momentum and Hamiltonian operators is gauge dependent. A resolution to this puzzle is recently
Chen, Xiang-Song   +3 more
core   +1 more source

Bis(acetato-κO)bis(pyridine-2-aldoxime-κ2N,N′)nickel(II)

open access: yesActa Crystallographica Section E, 2012
In the mononuclear title compound, [Ni(CH3COO)2(C6H6N2O)2], the NiII atom is coordinated by two pyridine-2-aldoxime (PaoH) ligands and two acetate groups, with cis coordination for the pairs of identical ligands.
Youtao Si
doaj   +1 more source

Hyperfine splitting in non-relativistic QED: uniqueness of the dressed hydrogen atom ground state

open access: yes, 2011
We consider a free hydrogen atom composed of a spin-1/2 nucleus and a spin-1/2 electron in the standard model of non-relativistic QED. We study the Pauli-Fierz Hamiltonian associated with this system at a fixed total momentum.
A. Pizzo   +18 more
core   +3 more sources

(E)-2-(4-Nitrobenzylideneamino)benzamide

open access: yesActa Crystallographica Section E, 2009
The title compound, C14H11N3O3, adopts an E conformation, with a dihedral angle of 41.8 (1) ° between the mean planes of the two benzene rings. One of the amino H atoms forms an intramolecular hydrogen bond with the amide N atom, while
Shu-Liang Wang   +3 more
doaj   +1 more source

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