Improved ground state rotational constants for the argon–hydrogen fluoride dimer

Improved Molecular Constants for the Ground State of DO(2).

K. V. Chance∗ D. A. Ramsay† E. H. Fink‡ ∗Harvard–Smithsonian Center for Astrophysics Cambridge, Massachusetts 02138 †Steacie Institute for Molecular Sciences National Research Council of Canada Ottawa, Ontario Canada K1A 0R6 ‡Physikalische Chemie Fachbereich 9 Bergische Universität-Gesamthochschule Wuppertal D-42097 Wuppertal Germany E-mail: [email protected]; [email protected]; fink...

Improved Molecular Constants for the Ground State of HO2

Molecular constants for the ground state of HO2 were recently published TABLE 2 by some of us (1) . These constants were based on measurements of the Revised Molecular Constants for the HO2 Ground State (MHz) frequencies of 17 transitions in the region 2.5 to 5.9 THz combined with Including Combination Differences from à A * r X̃ A 9 previously measured microwave and millimeter-wave measurements...

Improved ground-state electronic structure and optical dielectric constants with a semilocal exchange functional

The ground-state spectroscopic constants of Be2 revisited

Extensive ab initio calibration calculations combined with extrapolations towards the infinite-basis limit lead to a ground-state dissociation energy of Be2, De=944±25 cm−1, substantially higher than the accepted experimental value, and confirming recent theoretical findings. Our best computed spectroscopic observables (expt. values in parameters) are G(1)−G(0)=223.7 (223.8), G(2) − G(1)=173.8 ...

Ground State Centrifugal Distortion Constants of Trans-Acrolein, CH2 = CH—CHO from the Microwave and Millimeter Wave Rotational Spectra

The pure rotational spectrum of trans-acrolein in the ground vibrational state has been assigned in the frequency region from 8 GHz to 180 GHz. The measured absorption lines encompass a-type transitions from the " R k , q Q i . qQs branches and 6-type transitions from the r P 0 , r P x , r P 2 , rR0 brandies for values of J up to 23. The rotational constants have been refined and all quartic an...