Theory chemistry

The report of an IUPAC Task Group, formed in 2011 on “Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory” (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented.

13p runordie3 27-06-2022 9 3   Download

Research purpose: Using computational chemistry methods to study the mechanism of hydrogenation CO on the transition metal catalyst systems of Ni, Cu, Co, bimetallic catalysts NiCu, CoCu and catalytic systems bearing cluster on oxide carriers: MgO, Al2O3 and activated carbon (AC); compare and clarify the role of catalyst centers in single or bimetallic catalyst systems; clarifies the role of carriers (MgO, Al2O3 and AC) in the hydrogenation of CO.

27p thebadguys 08-06-2021 26 4   Download

Research’s aims: Research, proposed measures develop Self-learning Resources Inorganic chemistry part For Students Contribute to improving the quality of training at Southwestern Medical College.

25p thebadguys 08-06-2021 18 2   Download

Purpose: Using the density functional method (DFT) to find out the mechanism of CO2 hydrogenation reaction, the main product, by-products, the optimal reaction path, compare and evaluate the catalytic ability of the Ni5 cluster, Ni5/MgO, and Ni5/AC.

25p thebadguys 08-06-2021 12 3   Download

Goals of the study: Synthesis of new organic compounds (target) containing imidazole-5-one heterocycle; thiazolidine-2,4-dione heterocycle or 1,3,4-oxadiazoline heterocycle with different substituents in experimental conditions of Vietnam. Study on the properties, structures and biological activities of these compounds to contribute to the studies of both theory and application of heterocyclic compounds.

27p prisonbreak123 21-05-2021 25 4   Download

Purposes of the study: Introduce and clarify the concept "the competency of exploring and obtaining knowledge" through elemental competencies and compatible activities in teaching maths for high school students; Find out the reality and need of improving the competency of exploring and obtaining knowledge in teaching maths for high schools students majoring in physics, chemistry and biology; Build and test the feasibility of pedagogy method applied in teaching maths at high school classes majoring in physics, chemistry, and biology to foster this capacity for students.

27p prisonbreak123 21-05-2021 22 3   Download

Successful fabrication of polymer nanocomposite on the basis of PA6, PC thermoplastics, and CNT reinforcement to effectively apply the material system to the production of body protection equipment for the army forces.

28p capheviahe27 23-02-2021 15 2   Download

A benzothiazolium-derived colorimetric and fluorescent chemosensor (L) for detection of mercury ions has been prepared. The detection limits of the colorimetric and fluorescent method for mercury ions are 15.3 and 11.8 ppb, respectively, much lower than the reported chemosensors based on similar derivatives of benzothiazolium.

7p lamtan3547 04-11-2018 38 1   Download

Electrolytes: solutes which carry electrical charge - these compounds are at least partially ionized 1. Strong Electrolytes = solutes almost completely ionized 2. Weak Electrolytes = solutes only partially ionized .Acids and Bases - electrolytes (can be weak or strong) 1. Bronsted-Lowery Theory: acids are proton donors bases are proton acceptors 2. Strong Acids and bases almost completely ionized 3. Weak acids and bases (poorly ionized). See Table 6-2 (memorize strong acids and bases)

33p doilan 26-01-2013 38 5   Download

The long-awaited sequel to the "Concepts and Practice of Mathematical Finance" has now arrived. Taking up where the first volume left off, a range of topics is covered in depth. Extensive sections include portfolio credit derivatives, quasi-Monte Carlo, the calibration and implementation of the LIBOR market model, the acceleration of binomial trees, the Fourier transform in option pricing and much more. Throughout Mark Joshi brings his unique blend of theory, lucidity, practicality and experience to bear on issues relevant to the working quantitative analyst....

0p baobinh1311 25-09-2012 87 20   Download

Collection of research reports best university in 2007 honored the author: 12. Truong Van Nam, Nguyen Xuan Dung, study the effect of substituents on the properties of aniline by approximate methods AM1 quantum ... Quantum mechanics is one of the fundamental theory of physics. Quantum mechanics is an extension and supplement of Newtonian mechanics (also known as classical mechanics). It is the basis of many other disciplines of physics and chemistry as solid state physics, chemistry quantum particle physics.

6p phalinh14 07-08-2011 84 3   Download

The modern drug discovery process, in general, involves the identification of a biochemical target (usually protein target), screening of synthetic compounds or compound libraries from combinatorial chemistry/natural sources for a lead compound, and optimization of the lead compound (activity, selectivity, pharmacokinetics, etc.) for recommending a potential clinical candidate.

63p bigbaby87 03-09-2010 111 15   Download