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1,2-Dithioles
(Elsevier, 2022)
Advances, during the period 2008–18, in the chemistry of 1,2-dithioles as well as their applications in medicine and technology are presented. Additionally, for the better understanding of the extent of recent progress as ...
Density Functional Theory Study of the Multimode Jahn-Teller Effect - Ground State Distortion of Benzene Cation
(Springer, Dordrecht, 2012)
The multideterminental-DFT approach performed to analyze Jahn-Teller (JT) active molecules is described. Extension of this method for the analysis of the adiabatic potential energy surfaces and the multimode JT effect is ...
Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States
(John Wiley & Sons, Ltd, 2015)
Density functional approximations (DFAs) are often used to predict the energetic of transition metal (TM) compounds although an accurate prediction of the energy difference between close lying states of different spin ...
Adsorption of methylene blue from aqueous solution onto bentonite
(Springer, New York, 2011)
Technological development brought a number of advantages and conveniences to the modern life, but also brought many problems, environment pollution above all. Although a number of methods for water refining are already ...
Nature-inspired synthetic analogues of quorum sensing signaling molecules as novel therapeutics against Pseudomonas aeruginosa infections
(Elsevier, 2020)
The rapid emergence of antibiotic-resistant pathogens presents a global healthcare challenge. Bacteria control their virulence, motility, and biofilm formation, all of them being required for establishing pathogenicity, ...
General Theory of Disperse Metal Electrodeposits Formation
(Springer, 2012)
In this chapter, the fundamental aspects of disperse metals electrodeposition are discussed. The shapes of polarization curves in relation to the deposition process parameters are analyzed.Disperse metal deposits are formed ...
Hydrogen Co-deposition Effects on the Structure of Electrodeposited Copper
(Springer, 2010)
The effects of codeposition of hydrogen on the structure of electrodeposited copper is discussed. The simultaneous hydrogen evolution and codeposition are more extensively studied in the cases of electrodeposition of ...
The Effect of Morphology of Activated Electrodes on their Electrochemical Activity
(Springer, 2010)
The aspects of the newest developments of the effect of surface morphology of activated electrodes on their electrochemical properties are discussed. These electrodes, consisting of conducting, inert support which is coated ...
Introduction to ligand field theory and computational chemistry
(Elsevier, 2020)
This chapter provides an introduction to the electronic structure of coordination compounds. The introduction and overview of quantum chemistry, electronic structure of atoms, ligand field theory, and computational chemistry ...
A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory
(Springer, Berlin, Heidelberg, 2009)
A new method for the analysis of the adiabatic potential energy surfacesof Jahn–Teller (JT) active molecules is presented. It is based on the analogy betweenthe JT distortion and reaction coordinates. Within the harmonic ...