Results 281 to 290 of about 3,951,961 (299)
Some of the next articles are maybe not open access.
1992
The coupled-cluster (CC) method,1–4 originally designed for closed-shell systems, has been extended to include open-shell systems, which cannot be described adequately by a single determinant.5–22 The basic approach of the multireference method is to define an effective Hamiltonian in a low-dimensional model (or P) space, with eigenvalues approximating
openaire +1 more source
The coupled-cluster (CC) method,1–4 originally designed for closed-shell systems, has been extended to include open-shell systems, which cannot be described adequately by a single determinant.5–22 The basic approach of the multireference method is to define an effective Hamiltonian in a low-dimensional model (or P) space, with eigenvalues approximating
openaire +1 more source
Journal of Molecular Structure, 1992
Abstract Shielding constants of nuclear charge can be considered as a principle unifying the theory of BOHR and the WAVE-MECHANICAL theory. Spectroscopic maxima are explained in this paper in terms of molecular-orbital electron transitions in comparison with calculations of wave numbers, by the aid of shielding constants.
openaire +1 more source
Abstract Shielding constants of nuclear charge can be considered as a principle unifying the theory of BOHR and the WAVE-MECHANICAL theory. Spectroscopic maxima are explained in this paper in terms of molecular-orbital electron transitions in comparison with calculations of wave numbers, by the aid of shielding constants.
openaire +1 more source
The Journal of Physical Chemistry, 1987
The authors describe the use of CARS spectroscopy of photofragments as a means of obtaining extensive spectroscopic constants and accurate potential curves. UV photodissociation of ozone yields O/sub 2/(a/sup 1/..delta../sub g/) in nu = 0-6 and J = 0-50.
Jong Chen. Nieh, James J. Valentini
openaire +1 more source
The authors describe the use of CARS spectroscopy of photofragments as a means of obtaining extensive spectroscopic constants and accurate potential curves. UV photodissociation of ozone yields O/sub 2/(a/sup 1/..delta../sub g/) in nu = 0-6 and J = 0-50.
Jong Chen. Nieh, James J. Valentini
openaire +1 more source
The Journal of Chemical Physics, 1964
A set of single-configuration self-consistent field molecular orbital wavefunctions for the 1Σ ground state of BeO is presented. A potential curve which is approximately 0.3 eV above the Hartree—Fock potential curve for the molecule is presented, together with the results of a spectroscopic analysis on it.
openaire +1 more source
A set of single-configuration self-consistent field molecular orbital wavefunctions for the 1Σ ground state of BeO is presented. A potential curve which is approximately 0.3 eV above the Hartree—Fock potential curve for the molecule is presented, together with the results of a spectroscopic analysis on it.
openaire +1 more source
Spectroscopic constants and molecular properties of , A2Πu, and D2Πg electronic states of the ion
Computational and Theoretical Chemistry, 2011Deheng Shi +4 more
openaire +1 more source
The Current State of Molecular Testing in the Treatment of Patients With Solid Tumors, 2019
Ca-A Cancer Journal for Clinicians, 2019Edward S Kim +2 more
exaly
Molecular Cancer Prevention: Current Status and Future Directions
Ca-A Cancer Journal for Clinicians, 2015Kenneth Y. Tsai, Powel H Brown
exaly
Molecular constants at ground state of HD16O (H16OD) obtained from microwave spectroscopic methods
2016G. Guelachvili, N. Picqué
openaire +1 more source
Theoretical Study of Spectroscopic Constants and Molecular Properties of Rare-Gas Diatomic Cations
International Journal of Quantum Chemistry, 2007I Bhattacharyya
exaly