Comparison of thermodynamics and kinetics of reaction of the ozone with mercury, silver and gold Journal title: Iranian Chemical Communication Authors: Vahid Moeini, Seyed Hojatollah Rahimi, Zohre Rakhsha Subject(s): Chemistry
A QUANTUM CHEMICAL STUDY ON ELUCIDATION OF MOLECULAR STRUCTURE, ELECTRIC MOMENTS AND VIBRATIONAL ANALYSES OF BETA-DAMASCENONE AND ITS ISOMER- A COMPARATIVE STUDY Journal title: INTERNATIONAL JOURNAL OF ENGINEERING TECHNOLOGIES AND MANAGEMENT RESEARCH Authors: Subject(s):
The Hollow Spherical Silica Molecule (SiO2)20(H2O)10: Theoretical Calculations of the IR spectrum Journal title: Фізика і хімія твердого тіла Authors: O. Filonenko, V. Lobanov, A. G. Grebenyuk Subject(s):
THEORETICAL INVESTIGATIONS ON MOLECULAR STRUCTURE, HOMO, LUMO, NBO ANALYSIS AND HYPERPOLARIZABILITY CALCULATIONS OF MONO AND EXTENDED-TETRATHIAFULVALENES (MONO/EX-TTFS) Journal title: Indo American Journal of Pharmaceutical Sciences Authors: Tahar Abbaz*, Amel Bendjeddou and Didier Villemin . Subject(s): Biological Sciences, Chemistry, Medicine, Analytical Chemistry, Pharmaceutical science - Pharmaceutical science
Quantum Mechanical Approach to Identify Young's Modulus for Metals With a Cubic Lattice Journal title: Фізика і хімія твердого тіла Authors: E.Ph. Shtapenko, V.A. Zabludovsky, E.O. Voronkov, V.V. Dudkina Subject(s):
Frequencies of Normal Vibrations Adsorptions Complexes of Oxygen on Silicon (111) Face, Calculation within a Cluster Approach Journal title: Фізика і хімія твердого тіла Authors: M.I. Terebinska Subject(s):
Core-Level States of Single-Electron Adsorption Complexes Ge on Si (001) (4x2) Journal title: Фізика і хімія твердого тіла Authors: O.I. Tkachuk, M.I. Terebinska, V.V. Lobanov Subject(s):
Computational Modelling of the Mechanisms, Kinetics and Thermodynamics of Pyrolysis of Isobutyl Bromide in the Gas-phase Journal title: Chemical Science International Journal Authors: Olubunmi Omolara Adeboye Subject(s):
A Quantum Chemistry Study on the Interaction Between Silica Surface and Aqueous Alkaline Solutions Journal title: Фізика і хімія твердого тіла Authors: А.А. Kravchenko, E.M. Demianenko, А.G. Grebenyuk, V. Lobanov Subject(s):
TiO2/Gold nanocomposite as an extremely sensitive molecule sensor for NO2 detection: A DFT study Journal title: Journal of Water and Environmental Nanotechnology Authors: Subject(s):
Van der Waals corrected DFT study on the adsorption behaviors of TiO2 anatase nanoparticles as potential molecule sensor for thiophene detection Journal title: Journal of Water and Environmental Nanotechnology Authors: Subject(s):
On the Mn-In-Ni Diatoms: Electronic Properties Depending on Spin Multiplicity Journal title: International Journal of engineering Research and Applications Authors: Aslı Öztürk Kiraz, Halit Kan, Nuri Kolsuz, Şakir Erkoç Subject(s):
COMPUTATIONAL STRATEGY IN RATIONAL CHOICE OF FUNCTIONAL MONOMERS FOR "ARTIFICIAL RECEPTOR" SYNTHESIS ON MELAMINE Journal title: Сенсорна електроніка і мікросистемні технології Authors: K. M. Мuzyka Subject(s):
First principles calculations of the electronic and dielectric properties of λ-Ta2O5 Journal title: TecnoLógicas Authors: Camilo Valencia-Balvín, Santiago Pérez-Walton, Jorge M. Osorio-Guillén Subject(s):
A Computational Investigation of a Series Ofdimeric and Trimetric Tetrathiafulvalenes Using DFT Method Journal title: IOSR Journal of Applied Chemistry (IOSR-JAC) Authors: Tahar Abbaz, Amel Bendjeddou, Didier Villemin Subject(s):
