Results 341 to 350 of about 3,606,632 (351)

Studies in Molecular Structure. V. Computed Spectroscopic Constants for Selected Diatomic Molecules of the First Row

, 1961
S. Fraga, B. Ransil
semanticscholar   +1 more source

Performance of block correlated coupled cluster method with the CASSCF reference function for the prediction of activation barriers, spectroscopic constants in diatomic molecules, and singlet-triplet gaps in diradicals.

Journal of Physical Chemistry A, 2008
Jun Shen, T. Fang, Shuhua Li, Yuansheng Jiang   +3 more
semanticscholar   +1 more source

Systematics of spectroscopic constants of homonuclear diatomic molecules

Chemical Physics, 2007
exaly  

Theoretical study of spectroscopic constants and molecular properties of diatomic anions using B3LYP method

Computational and Theoretical Chemistry, 2003
exaly  

Spectroscopic constants of MH and M2 (M=Tl, E113, Bi, E115): Direct comparisons of four- and two-component approaches in the framework of relativistic density functional theory

, 2002
Wenjian Liu, C. Wüllen, Fan Wang, Lemin Li   +3 more
semanticscholar   +1 more source

Theoretical study of the NaLi molecule: potential energy curves, spectroscopic constants, dipole moments and radiative lifetimes

, 2008
N. Mabrouk, H. Berriche
semanticscholar   +1 more source

Spectroscopic constants and potential-energy curves of heavy p-block dimers and trimers

Chemical Reviews, 1990
exaly  

Theoretical study of the spectroscopic constants of low-lying states of Ga2

Computational and Theoretical Chemistry, 1998
exaly  

Spectroscopic ellipsometry characterization of indium tin oxide film microstructure and optical constants

Thin Solid Films, 1998
exaly  

Theoretical determination of the spectroscopic constants of CaH+

Physical review. A, Atomic, molecular, and optical physics
, Canuto, , Castro, , Sinha
openaire   +1 more source