Results 1 to 10 of about 403,627 (266)
Some of the next articles are maybe not open access.

Ab initio potential energy curves and transition dipole moments for the low-lying states of CH+

Computational and Theoretical Chemistry, 2014
Ali Maghari   +2 more
exaly  

Potential Energy Curves & Material Properties

Materials Sciences and Applications, 2011
exaly  

CASPT2 Potential Energy Curves for NO Dissociation in a Ruthenium Nitrosyl Complex [PDF]

open access: yesMolecules, 2020
Ruthenium nitrosyl complexes are fascinating photoactive compounds showing complex photoreactivity, such as N→O linkage photoisomerism and NO photorelease.
Francesco Talotta   +2 more
doaj   +2 more sources

An Intruder-Free Fock Space Coupled-Cluster Study of the Potential Energy Curves of LiMg+ within the (2,0) Sector [PDF]

open access: yesMolecules
The potential energy curves (PECs) and spectroscopic constants of the ground and excited states of a LiMg+ molecular cation were investigated. We obtained accurate results for the fifteen lowest-lying states of the LiMg+ cation using the Intermediate ...
Grzegorz Skrzyński, Monika Musial
doaj   +2 more sources

Electronic Structure, Spectroscopy, Cold Ion–Atom Elastic Collision Properties, and Photoassociation Formation Prediction of the (MgCs)+ Molecular Ion

open access: yesAtoms, 2023
In this paper, we extensively study the electronic structure, interactions, and dynamics of the (MgCs)+ molecular ion. The exchanges between the alkaline atom and the low-energy cationic alkaline earths, which are important in the field of cold and ...
Mohamed Farjallah   +3 more
doaj   +1 more source

Home - About - Disclaimer - Privacy