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Soares Junior Acir M. Pires Adolfo P. Henderson Nélio Mota Breno T. Barros Wagner Queiroz 《Journal of solution chemistry》2022,51(11):1353-1370
Journal of Solution Chemistry - In this work, a robust and rigorous procedure for roots calculation and selection for a Cubic Equation of State is presented. Roundoff errors are detected and... 相似文献
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Chiguils-Prez Yureli Rodrguez-Hurtado Alejandro Israel Prez-Picaso Lemuel Ramrez-Marroqun Oscar Abelardo Martnez-Pascual Roxana Hernndez-Nez Emanuel Vias-Bravo Omar Lpez-Torres Adolfo 《Russian Journal of General Chemistry》2022,91(1):S123-S130
Russian Journal of General Chemistry - Herein, the synthesis of six new derivatives via molecular hybridization of imidazole or triazole and valine methyl ester as a rational design for accessing... 相似文献
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Tingting Ye Dr. Zifu Zhong Prof. Dr. Adolfo García-Sastre Prof. Dr. Michael Schotsaert Prof. Bruno G. De Geest 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(43):19045-19057
The current COVID-19 pandemic has a tremendous impact on daily life world-wide. Despite the ability to dampen the spread of SARS-CoV-2, the causative agent of the diseases, through restrictive interventions, it is believed that only effective vaccines will provide sufficient control over the disease and revert societal live back to normal. At present, a double-digit number of efforts are devoted to the development of a vaccine against COVID-19. Here, we provide an overview of these (pre)clinical efforts and provide background information on the technologies behind these vaccines. In addition, we discuss potential hurdles that need to be addressed prior to mass scale clinical translation of successful vaccine candidates. 相似文献
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Classical Ziegler-Natta and Kaminsky-Ewen catalysts promoting polymerization of hydrocarbon monomers are compared considering the reactivity and the stereochemical mechanisms of polymerization. It is suggested that also the “active sites” of heterogeneous catalysts could be cationic. 相似文献
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Perusal of literature data and some new results concerning syndiotactic-specific polymerization of styrene suggest a reaction mechanism accounting for the steric control. Key features of the proposed mechanism are stereorigid ηn coordination of the growing chain end and diastereoselective coordination of the monomer imposed by direct interactions with the ancillary ligand of the metal complex, a pseudotetrahedral chiral Ti(III) or Zr(III) cation, which inverts its configuration after every syndiospecific insertion step. 相似文献
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Carlos Javier Villagomez Tomaso Zambelli Sébastien Gauthier André Gourdon Sladjana Stojkovic Christian Joachim 《Surface science》2009,603(10-12):1526-1532
An isomer of the methylterrylene molecule was adsorbed both on Cu(111) and on a NaCl bilayer deposited on Cu(111) and imaged by ultra high vacuum scanning tunneling microscopy at low temperature (5 K). On the bare metal surface, the STM images do not reveal any intramolecular resolution and do not depend on the applied tunnel bias. On the contrary, the images acquired at specific bias voltages for the molecule on the salt layer show a striking similarity with the spatial distribution of the electronic probability density in the highest occupied molecular orbital (HOMO) and in the lowest unoccupied molecular orbital (LUMO) of free methylterrylene. They are well reproduced by elastic scattering quantum chemistry calculations. These data provide a direct view of the hyperconjugative interaction between the methyl group and the frontier orbitals of terrylene. 相似文献
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