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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 ...
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, ...
Algorithm for Applying 3D Printing in Prototype Realization – Case: Enclosure for an Industrial Pressure Transmitter
(Springer, 2020)
Additive manufacturing technology helped many organizations to save
money in the product design process by reducing prototype costs, and also by providing a means for early evaluation and decision making. The idea of this ...
A cloud computing model for achieving competitiveness of domestic enterprises
(Springer, 2020)
Amidst the globalization of markets and within the framework of the
fourth industrial revolution - Industry 4.0, domestic enterprises face challenges
when it comes to business and market performance. Domestic enterprises ...
Experimental and Numerical Methods for Concept Design and Flow Transition Prediction on the Example of the Bionic High-speed Train
(Springer, 2020)
In the times of significant development of high-speed train transportation and taking the primacy over the others. One of the major designing task is to predict accurately and fast the vehicle main performances, especially ...
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 ...
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 ...
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 ...