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Análise conformacional do 3-terc-butoxicicloexanol e 3-terc-butoxi-a-metoxicicloexano
(Universidade Tecnológica Federal do ParanáCuritibaBrasilBacharelado em QuímicaUTFPR, 2017-07-03)
Conformational analysis is a fundamental tool to investigate molecular stability and the factors responsible for it. Steric repulsion is a destabilizing effect and exists because of the electronic repulsion among occupied ...
Synthesis, spectroscopic characterization and molecular modeling of a tetranuclear platinum(II) complex with thiazolidine-4-carboxylic acid
(Elsevier Science BvAmsterdamHolanda, 2012)
Molecular orbitals applet
(2016)
Molecular orbitals applet
(2013)
New basis set for molecular calculations 11. A CNDO study of electric dipole moments and electronic valence population on AH and AB systems using the modified Slater orbitals.
(Journal of Physics B: Atomic and Molecular Physics, 1980)
Stereoelectronic interactions and molecular properties: An NBO-based study of uracil
(American Chemical Society, 2003-07)
The contributions of stereoelectronic interactions to several molecular properties are used to analyze the propagation of information between different parts of the uracil molecule with a method that is based on the natural ...