Pyridine-M2+ [M= Mg, Ca]: a promising organometallic system for potential hydrogen storage: in silico study
Abstract Pyridine-M 2+[M= Mg, Ca] hosts have been identified as potent H 2 storage
material, and this has been explored by a variety of functionals within the density functional …
material, and this has been explored by a variety of functionals within the density functional …
A Tutorial Mini-review on Crown Ethers Towards Rhodium Separation: Application of Crown Ether Studies
Metallic resources are generally obtained as raw materials from mines, and through a
refining process, they are made into metallic materials. In recent years, however, the …
refining process, they are made into metallic materials. In recent years, however, the …
Theoretical investigation of hydrogen adsorption efficiency of [Oxadiazole-xLi+] complexes (x= 1, 2): in pursuit of green fuel storage
In current decade all countries are going to launch their National Hydrogen Energy Mission
with ambitious targets in the renewable energy sector and the push for hydrogen energy will …
with ambitious targets in the renewable energy sector and the push for hydrogen energy will …
Comprehensive in silico study on lithiated Triazine isomers and its H2 storage efficiency
This article illustrates the H 2 trapping potential of Li doped tri heteroatomic six-membered
aromatic Triazine isomers. The Li doped Triazine isomers are stabilized as a cation with …
aromatic Triazine isomers. The Li doped Triazine isomers are stabilized as a cation with …
2, 2'-Bipyridyl Chelated Ru (II)-Annulated NHC Complex of 1-Methyl-2-Pyridin-2-Yl-2H-Imidazo [1, 5-a] Pyridin-4-Ylidene: Synthesis, Structure, Optical Properties, and …
This article depicts the synthesis of Ru (II)-NHC complex,[Ru (bpy)(NHC)(CH3CN) 2][PF6] 2
(2);[NHC= 1-methyl-2-(pyridyl) imidazo [1, 5-a] pyridine-2-yiledene] via Ag (I)-carbene trans …
(2);[NHC= 1-methyl-2-(pyridyl) imidazo [1, 5-a] pyridine-2-yiledene] via Ag (I)-carbene trans …
Aromatic N-Heterocyclic superalkali M@ C4H4N2 complexes (M= Li, Na, K); A promising potential hydrogen storage system
In search of a potential hydrogen storage material, we have used three different aromatic N-
heterocyclic systems; Pyrazine, Pyrimidine, and Pyridazine. The alkali (Li, Na, and K) …
heterocyclic systems; Pyrazine, Pyrimidine, and Pyridazine. The alkali (Li, Na, and K) …
Hydrogen Storage Efficiency of the Ag (I)/Au (I) Decorated Five-Member Aromatic Heterocyclic (AH) Compounds: A Theoretical Investigation
The hydrogen (H 2) economy has long faced significant challenges in the areas of
production, storage, and application. Extensive research efforts have been directed towards …
production, storage, and application. Extensive research efforts have been directed towards …
A Theoretical Study on Au (I) Decorated Isomeric Triazine Complexes as a New Class of Hydrogen Storage Materials
The requirement of energy in our daily life is continuously increased. We consume different
type of fossil fuel (like oil, coal and natural gas) resources in order to obtain energy. Due to …
type of fossil fuel (like oil, coal and natural gas) resources in order to obtain energy. Due to …
Elucidation of the Pyridine Ring-Opening Mechanism of 2, 2′-Bipyridine or 1, 10-Phenanthroline Ligands at Re (I) Carbonyl Complexes
P Cañadas, J Díaz, R López, MI Menéndez… - Inorganic …, 2024 - ACS Publications
The cleavage of the C–N bonds of aromatic heterocycles, such as pyridines or quinolines, is
a crucial step in the hydrodenitrogenation (HDN) industrial processes of fuels in order to …
a crucial step in the hydrodenitrogenation (HDN) industrial processes of fuels in order to …
Hydrogen Storage Efficiency of Isomeric Cu (1)-Triazine Complexes: In Quest of New Hydrogen Storage Material
This chapter addresses the H2 storage efficiency of Cu (I)-decorated isomeric triazine
complexes using density functional theory with an in-silico approach. The stability and …
complexes using density functional theory with an in-silico approach. The stability and …