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Molecular structure and bonding of copper cluster monocarbonyls CunCO (n=1-9)
(AMER CHEMICAL SOC, 2006)
In this work we analyze CO binding on small neutral copper clusters, Cu-n (n = 1-9). Molecular structures and reactivity descriptors of copper clusters are computed and discussed. The results show that the condensed Fukui ...
Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorine
(American Institute of Physics (AIP), 2008-01-28)
The electronic structure and spectroscopic properties (R(e), omega(e), omega(e)x(e), beta(e), and T(e)) of the ground state and the 22 lowest excited states of chlorine molecule were studied within a four-component ...
Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorine
(American Institute of Physics (AIP), 2008-01-28)
The electronic structure and spectroscopic properties (R(e), omega(e), omega(e)x(e), beta(e), and T(e)) of the ground state and the 22 lowest excited states of chlorine molecule were studied within a four-component ...
Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorine
(American Institute of Physics (AIP), 2014)
Identification of lowest excited states in the organometallic iron-nitrile complexes
(1999)
Electronic absorption spectra for the complexes [CpFe(dppe)NC-R]PF6 R = CH2-C6H4-ON3P3(OC 6H4t-Bu)5 (1), R = CH2-C6H4-OH (2) and R = CH3 (3) in different solvents have been measured. The two absorption bands at the lowest ...
Electronic Structure and Chemical Bonding in the Lowest Electronic States of TcN
(AMER CHEMICAL SOC, 2009)
Multiconfiguration second-order perturbation theory, with the inclusion of relativistic effects and spin-orbit Coupling, was employed to investigate the nature of the ground and low-lying Lambda-S and Omega states of the ...
On the Relaxation Mechanisms of 6-Azauracil
(AMER CHEMICAL SOC, 2011)
The nonadiabatic photochemistry of 6-azauracil has been studied by means of the CASPT2//CASSCF protocol and double-zeta plus polarization ANO basis sets. Minimum energy states, transition states, minimum energy paths, and ...
Supercircle description of universal three-body states in two dimensions
(Amer Physical Soc, 2012-02-02)
Bound states of asymmetric three-body systems confined to two dimensions are currently unknown. In the universal regime, two energy ratios and two mass ratios provide complete knowledge of the three-body energy measured ...
Supercircle description of universal three-body states in two dimensions
(2012-02-02)
Bound states of asymmetric three-body systems confined to two dimensions are currently unknown. In the universal regime, two energy ratios and two mass ratios provide complete knowledge of the three-body energy measured ...
An assessment of fiscal and regulatory barriers to deployment of energy efficiency and renewable energy technologies in Belize
(ECLAC, 2013-11)
Belize is currently faced with several critical challenges associated with the production, distribution and use of energy. Despite an abundance of renewable energy resources, the country remains disproportionately dependent ...