Author Institution: Chemistry Department, New York UniversityThis work was sponsored by the National Aeronautics and Space Administration, Washington, D.C. 20546, and the Air Pollution Division of Bureau of State Services, Public Health Service, Bethesda, Maryland.The self-consistent field molecular orbital method in LCAO (linear combination of atomic orbitals) approximation is applied to the ground and ionized states of $N_{2}$ and CO at a number of internuclear distances for the computation of the potential energy curves. In these calculations both the linear coefficients and the screening constants of the atomic orbitals have been optimized. The molecular constants $\omega_{e}, \omega_{e}X_{e}, B_{e}, \alpha_{e}$ and $R_{e}$ have also be...
A full dimensional Potential Energy Surface (PES) of the CO + N2 system has been generated by extend...
Author Institution: Laboratory of Molecular Spectroscopy, Czechoslovak Academy of Sciences; Laborato...
Potential-energy curves of various electronic states of CO<SUP>2+</SUP> and CO<SUP>+</SUP> are compu...
Author Institution: New York University, Chemistry DepartmentComputation of the potential energy cur...
This work was supported by Grants DES 74-21688 and ATM 74-21688 from the Atmospheric Sciences Sectio...
Author Institution: Department of Chemistry, New York UniversityCalculation of the Hartree-Fock Mole...
Author Institution: Department of Chemistry, New York UniversitySelected ionized and excited states ...
$^{*}$ Supported in part by the Air Force Office of Scientific Research $^{1}$ D. G. Hopper, A. C. W...
$^{*}$Formerly of the Theoretical Chemistry Department, Cambridge University, England. $^{1}$W. Mo...
Author Institution: Department of Chemistry, New York UniversityThe Hartree-Fock equations for selec...
Author Institution: New York University, Chemistry DepartmentThe self-consistent field molecular orb...
$^{(1)}$ J. Hinze and W.K. Kosman, J. Mole. Spectry., 56 93 (1975) (2) H. Scheingraber and C.R. Vida...
We have applied the equations-of-motion method to various states of N2, CO, and ethylene at nuclear ...
16 pags., 10 figs. 5 tabs., 1 app.A full dimensional Potential Energy Surface (PES) of the CO + N2 s...
A full dimensional Potential Energy Surface (PES) of the CO + N2 system has been generated by extend...
A full dimensional Potential Energy Surface (PES) of the CO + N2 system has been generated by extend...
Author Institution: Laboratory of Molecular Spectroscopy, Czechoslovak Academy of Sciences; Laborato...
Potential-energy curves of various electronic states of CO<SUP>2+</SUP> and CO<SUP>+</SUP> are compu...
Author Institution: New York University, Chemistry DepartmentComputation of the potential energy cur...
This work was supported by Grants DES 74-21688 and ATM 74-21688 from the Atmospheric Sciences Sectio...
Author Institution: Department of Chemistry, New York UniversityCalculation of the Hartree-Fock Mole...
Author Institution: Department of Chemistry, New York UniversitySelected ionized and excited states ...
$^{*}$ Supported in part by the Air Force Office of Scientific Research $^{1}$ D. G. Hopper, A. C. W...
$^{*}$Formerly of the Theoretical Chemistry Department, Cambridge University, England. $^{1}$W. Mo...
Author Institution: Department of Chemistry, New York UniversityThe Hartree-Fock equations for selec...
Author Institution: New York University, Chemistry DepartmentThe self-consistent field molecular orb...
$^{(1)}$ J. Hinze and W.K. Kosman, J. Mole. Spectry., 56 93 (1975) (2) H. Scheingraber and C.R. Vida...
We have applied the equations-of-motion method to various states of N2, CO, and ethylene at nuclear ...
16 pags., 10 figs. 5 tabs., 1 app.A full dimensional Potential Energy Surface (PES) of the CO + N2 s...
A full dimensional Potential Energy Surface (PES) of the CO + N2 system has been generated by extend...
A full dimensional Potential Energy Surface (PES) of the CO + N2 system has been generated by extend...
Author Institution: Laboratory of Molecular Spectroscopy, Czechoslovak Academy of Sciences; Laborato...
Potential-energy curves of various electronic states of CO<SUP>2+</SUP> and CO<SUP>+</SUP> are compu...