Results 261 to 270 of about 3,606,632 (351)

Spectroscopic constants of the Kolos-Wolniewicz potential for H2

Journal of Molecular Spectroscopy, 1966
Abstract Recently Kolos and Wolniewicz used an 80-term electronic wave function in an accurate variational calculation of the H 2 ground-state potential. For this potential the coefficients in power series expansions about the minimum are here determined.
Charles L. Beckel, Joseph P. Sattler
openaire   +2 more sources

Ab initiostudy of Ba+Arn(n= 1–4) clusters: spectroscopic constants and vibrational energy levels

Molecular Physics, 2016
Khaled Issa, Noureddine Issaoui, Amr M Mahros   +2 more
exaly   +2 more sources

Anharmonic Frequencies and Spectroscopic Constants of OAlOH and AlOH: Strong Bonding but Unhindered Motion.

Journal of Physical Chemistry A, 2020
The astrophysical buildup of premineral nanocrystals from atoms to the smallest network-covalent solids will require observations of various small molecules containing the most common elements in minerals including aluminum and oxygen.
R. Fortenberry, T. Trabelsi, J. S. Francisco   +2 more
semanticscholar   +1 more source

Ab initio study of spectroscopic constants and anharmonic force field of FCO2 radical

Computational and Theoretical Chemistry, 2010
Mei-Shan Wang, Chuan-Lu Yang
exaly   +2 more sources

On determining dose rate constants spectroscopically

Medical Physics, 2012
Purpose:To investigate several aspects of the Chen and Nath spectroscopic method of determining the dose rate constants of125I and 103Pd seeds [Z. Chen and R. Nath, Phys. Med. Biol. 55, – (2010)] 10.1088/0031‐9155/55/20/004 including the accuracy of using a line or dual‐point source approximation as done in their method, and the accuracy of ignoring ...
M, Rodriguez, D W O, Rogers
openaire   +2 more sources

Spectroscopic constants and potential energy curves of GeH+

Journal of Molecular Spectroscopy, 1990
Abstract Complete active space multiconfiguration self-consistent field (CAS-MCSFC) followed by full second-roder CI (SOCI) and relativistic configuration interaction (RCI) including spin-orbit coupling calculations are carried out on 14 λ-s and 10 ω-ω states of HfH. The spectroscopic constants (re, Te, ωe, μe, De) of these states are computed.
K Balasubramanian, Kalyan K Das
openaire   +1 more source

A Note on the Spectroscopic Constants of NF3

Journal of Molecular Spectroscopy, 1997
Null
G. Cazzoli, L. Cludi, Claudio Degli Esposti, L. Dore   +3 more
openaire   +2 more sources

A spectroscopic determination of the Boltzmann constant

CLEO/Europe - EQEC 2009 - European Conference on Lasers and Electro-Optics and the European Quantum Electronics Conference, 2009
The current definition of the temperature unit kelvin is based on the triple point of water. The relative accuracy of about 2·10−7 of this definition is basically limited by the “purity“ of the water in the triple point cell. In order to meet future demands for temperature measurements, it is desireable to redefine the kelvin by fixing the value of the
Jan Hald, Lars Nielsen, Jan C. Petersen
openaire   +1 more source

Improved spectroscopic constants for the NO fundamental

Journal of Quantitative Spectroscopy and Radiative Transfer, 1977
Abstract A power series in the rotational index m has been fitted to the two fundamental ( 2 Π 1 2 − 2 Π 1 2 and 2 Π 3 2 − 2 Π 3 2 ) bands of nitric oxide and improved effective values of the spectroscopic constants B, D and H were obtained.
Louise Gray Young, Andrew T. Young
openaire   +1 more source

Molecular screening and spectroscopic constants

International Journal of Quantum Chemistry, 2009
The use of a semi-empirically determined orbital exponent is investigated in a 4-electron energy calculation of LiH. The results are compared to those of a 2-electron calculation by the same semi-empirical method. Selected spectroscopic constants are also calculated from the energy dependence upon internuclear distance.
Jess Thompson, Michael Povich, Boris Musulin   +2 more
openaire   +1 more source