28 citations · 60 across the 8 of their papers we have counts for
8 papers
Cathodic Carbon Chemically Adsorbs Carbon Dioxide: Why Is it True?
Vitaly V. Chaban, Nadezhda A. Andreeva
Large-scale applications are waiting for an optimal CO2 scavenger to reinforce CCS and CCU technologies. We herein introduce and succinctly validate a new philosophy of capturing g…
Mixtures of Diethyl Sulfoxide and Methanol: Structure and Thermodynamics
Vitaly V. Chaban, Nadezhda A. Andreeva
Mixtures of sulfoxides with molecular solvents possess interesting physical-chemical properties and may have applications in chemical synthesis. Hereby we confirm and rationalize t…
Ammonium-, Phosphonium- and Sulfonium-Based 2-Cyanopyrrolidines for Carbon Dioxide Fixation
Vitaly V. Chaban, Nadezhda A. Andreeva, Iuliia V. Voroshylova
The development of carbon dioxide (CO2) scavengers is an acute problem nowadays because of the global warming problem. Many groups around the globe intensively develop new greenhou…
Electronic and Thermodynamic Properties of the Amino- and Carboxamido-Functionalized C-60-Based Fullerenes: Towards Non-Volatile Carbon Dioxide Scavengers
Nadezhda A. Andreeva, Vitaly V. Chaban
Development of new greenhouse gas scavengers is actively pursued nowadays. Volatility caused solvent consumption and significant regeneration costs associated with the aqueous amin…
A Weakly Coordinating Anion Substantially Enhances Carbon Dioxide Fixation by Calcium and Barium Salts
Vitaly V. Chaban, Nadezhda A. Andreeva, Pavel N. Vorontsov-Velyaminov
Carbon dioxide fixation and storage constitute a drastically important problem for the humanity nowadays. We hereby publish a new solution based on the alkaline earth salts with a…
Structure, Thermodynamic and Electronic Properties of Carbon-Nitrogen Cubanes and Protonated Polynitrogen Cations
Vitaly V. Chaban, Nadezhda A. Andreeva
Energy generation and storage are at the center of modern civilization. Energetic materials constitute quite a large class of compounds with a high amount of stored chemical energy…
Solvation of the Morpholinium Cation in Acetonitrile. Effect of an Anion
Vitaly V. Chaban, Nadezhda A. Andreeva
Ionic liquids constitute a fast growing class of compounds finding multiple applications in science and technology. Morpholinium-based ionic liquids (MBILs) and their mixtures with…
Global Minimum Search via Annealing. Nanoscale Gold Clusters
Nadezhda A. Andreeva, Vitaly V. Chaban
Global minimum potential energy state can be very challenging to locate in a relatively large atomistic system. Our present work investigates this problem using an example of gold…