Organic Chemistry in the Nineteenth Century: Theory of Radicals to Valency [PDF]
SSRN Electronic Journal, 2020 Organic chemistry in the nineteenth century developed with a specific order of discovery, which was the inevitable path by which our knowledge of organic chemistry had to develop. New methods of analysis of organic materials led to new experimental results, which led to new theories about the nature of organic chemistry.
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Journal of Physical Chemistry A, 2021 Spin-Coupled Generalized Valence Bond (SCGVB) theory provides the foundation for a comprehensive theory of the electronic structure of molecules. SCGVB theory offers a compelling orbital description of the electronic structure of molecules as well as an ...
T. Dunning +3 more
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Exploiting limited valence patchy particles to understand autocatalytic kinetics
Nature Communications, 2018 Autocatalysis is common in chemistry, biophysics and material science, but existing approaches are unable to fully capture the physical mechanisms behind it.
Silvia Corezzi +2 more
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Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors. [PDF]
Journal of Chemical Theory and Computation, 2020 Localization of molecular orbitals finds its importance in the representation of chemical bonding (and antibonding) and in the local correlation treatments beyond mean-field approximation.
Bruno Senjean +4 more
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Scalable Al2O3–TiO2 Conductive Oxide Interfaces as Defect Reservoirs for Resistive Switching Devices
Advanced Electronic Materials, 2023 Resistive switching devices herald a transformative technology for memory and computation, offering considerable advantages in performance and energy efficiency.
Yang Li +7 more
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O CONCEITO DE VALÊNCIA EM LIVROS DIDÁTICOS DE QUÍMICA GERAL ENTRE AS DÉCADAS DE 1890 E 1940
Química NovaThis paper aims to investigate the presentation of the concept of valence in college-level, general chemistry textbooks published in the USA between the 1890s and the 1940s.
Helena S. Alvares Nogueira +1 more
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A Theoretical Analysis of the Differential Chemical Reaction Results Caused by Chirality Induction
Molecules, 2023 The theory of electron spin has been proposed for a century, but the study of quantum effects in biological molecules is still in its infancy. Chirality-induced spin selectivity (CISS) is a very modern theory that can explain many biochemical phenomena ...
Feng-Yu Zhang +5 more
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HYBRID ATOMIC ORBITALS IN ORGANIC CHEMISTRY. PART 2: CRITIQUE OF PRACTICAL ASPECTS
Química NovaThe importance of hybrid atomic orbitals, in both general and organic chemistry, is reviewed. Every contemporary textbook of organic chemistry introduces the directed-valence (e.g. sp3, sp2, sp) model, but the suitability of these hybrid orbitals for use
Guy Lamoureux, John F. Ogilvie
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QUANTUM CHEMISTRY IN MOLDOVA – 50 YEARS [PDF]
Chemistry Journal of Moldova: General, Industrial and Ecological Chemistry, 2009 An overview of the main achievements of the Laboratory of Quantum Chemistry of the Institute of Chemistry of the Academy of Sciences of Moldova during the 50 year of its existence is briefly outlined. The main fundamental non-transient result obtained in
B. Bersuker
doaj
Valence Tautomerism of p‐Block Element Compounds – An Eligible Phenomenon for Main Group Catalysis?
European Journal of Inorganic Chemistry, 2021 Valence tautomerism has had a remarkable impact on several branches of transition metal chemistry. By switching between different valence tautomeric states, physicochemical properties and reactivities can be triggered reversibly.
L. Greb
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