Buscar
Mostrando ítems 1-10 de 463
Unique magnetic shielding and bonding in Pnicogen nortricyclane Zintl clusters
(Elsevier B.V., 2020)
Hiding in Plain Sight: Cuticular Compound Profile Matching Conceals a Larval Tortoise Beetle in its Host Chemical Cloud
(SpringerDordrechtHolanda, 2014)
Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods
(American Institute of Physics, 2011-07)
We investigate the importance of relativistic effects on NMR shielding constants and chemical shifts of linear HgL2 (L = Cl, Br, I, CH 3) compounds using three different relativistic methods: the fully relativistic ...
Unique magnetic shielding and bonding in Pnicogen nortricyclane Zintl clusters
(Chemical Physics Letters, 2020)
NMR chemical shielding and spin-spin coupling constants of liquid NHȝ: a systematic investigation using the sequential QM/MM method
(American Chemical Society, 2009-09)
The NMR spin coupling parameters, ¹J(N,H) and ²J(H,H), and the chemical shielding, σ(15N), of liquid ammonia are studied from a combined and sequential QM/MM methodology. Monte Carlo simulations are performed to generate ...
Supermartensitic stainless steel deposits: shielding gas and post-weld heat treatment: detailed are the results as CO2 content in the shielding gas increased, plus the postweld heat treatment utilized in this work
(American Welding Society, 2013-10)
Welding supermartensitic stainless steel plays a crucial role in structural components, influencing their toughness and resistance to sulfide stress cracking. Postweld heat treatment (PWHT) adjusts the final properties of ...
A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water
(Springer, 2012-05)
Electronic polarization induced by the interaction of a reference molecule with a liquid environment is expected to affect the magnetic shielding constants.Understanding this effect using realistic theoretical models is ...