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Solvent and substituent effects on the conformational equilibria and intramolecular hydrogen bonding of 4-substituted-2-hydroxybenzaldehydes
(Pergamon-Elsevier Science Ltd, 2007-04-02)
By applying the B3LYP/6-31G(d) method with the SCIPCM model on seven 4X substituted 2-hydroxybenzaldehydes, some structural characteristics related with their conformational equilibria and intramolecular hydrogen bonds ...
Liquid-liquid Phase Diagrams Of Poly(ethylene Glycol) And Aromatic Hydrocarbons
(ELSEVIER SCIENCE BVAMSTERDAM, 2016)
Consensus and equilibria in the presence of self-interest and conformity in social groups
(Udelar. FCS, 2017)
This paper analyses the decision-making processes of heterogeneous agents, when both individual preferences and group actions are taken into account. Under the assumptions of certain mechanisms of interactions and assuming ...
The role of hyperconjugation in the conformational analysis of methylcyclohexane and methylheterocyclohexanes
(Amer Chemical SocWashingtonEUA, 2003)
The conformational energies of 2-methyl- and 4-methyl-1,3-dithiane. The breakdown of 1,3-syn diaxial repulsion hypothesis
(Elsevier Science BvAmsterdamHolanda, 2003)
Conformational equilibria of trans-3-X-cyclohexanols (X = Cl, Br, CH3 and OCH3. A low temperature NMR study and theoretical calculations
(John Wiley & Sons LtdChichesterInglaterra, 2008)
Stereoelectronic Interactions and the One-Bond C-F Coupling Constant in Sevoflurane
(Amer Chemical SocWashingtonEUA, 2012)
Ion‐Exchange equilibria in cationic polyelectrolytes
(1994)
A method which allows the evaluation of phenomenological ion exchange constants Kex is proposed and tested in a cationic polyelectrolyte system. Results for nitrate/chloride exchange are nearly constant over the entire ...
Halogenated six-membered rings: a theoretical approach for substituent effects in conformational analysis
(Elsevier Science BvAmsterdamHolanda, 2002)