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| Description
| - Development of the knowledge, control and rational utilization of chemical processes including search for new perspective solutions, is conditioned by continuously increasing knowledge of their individual steps on an atomic scale with high temporal and space resolution, and by revealing the role of the particular factors involved. The project is therefore aimed at research on the outlined topics using both theoretical and experimental methods. In the field of theory this concerns perfection of quantum chemical methods to increase their applicability to models adequately representing reality even with complex systems. In the field of experiments the project is focused on methods which provide the structure, dynamics and reactivity of atoms, molecules and molecular systems in the ground, excited and ionized states; mechanism of their interactions including mass and heat transport; and determination of the reaction and phase change kinterics. (en)
- Pro další vývoj v poznávání, ovládnutí a racionálním využívání chemických reakcí a procesů včetně vyhledávání nových perspektivních řešení je nezbytné identifikovat v atomárním měřítku a s co největším časovým a prostorovým rozlišením jednotlivé kroky chemických dějů a faktory, které je ovlivňují. Projekt je proto zaměřen na použití teoretických i experimentálních metod k řešení těchto problém. V teorii jde o zdokonalování kvantově chemických metod , aby byly použitelné pro realistické modely, a to i u složitých systémů. V oblasti experimentální to bude aplikace fyzikálních, fyzikálně chemických a elektrochemických metod k získávání poznatků o struktuře, dynamice a raktivitě atomů, molekul a molekulárních systémů v základním, excitovaném a ionizovaném stavu, a o mechanismu jejich interakcí jak v molekulárním, tak v makroskopickém měřítku se zahrnutím transportu tepla a hmoty a stanovení kinetiky reakcí a fázových změn.
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| Title
| - Theoretical fundamentals of chemical reactions and processes (en)
- Teoretické základy chemických reakcí a procesů
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| skos:notation
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| http://linked.open...avai/cep/aktivita
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| http://linked.open...kovaStatniPodpora
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| http://linked.open...ep/celkoveNaklady
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| http://linked.open...datumDodatniDoRIV
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| http://linked.open...i/cep/druhSouteze
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| http://linked.open...ep/duvernostUdaju
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| http://linked.open.../cep/fazeProjektu
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| http://linked.open...ai/cep/hlavniObor
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| http://linked.open...hodnoceniProjektu
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| http://linked.open...vai/cep/kategorie
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| http://linked.open.../cep/klicovaSlova
| - chemical physics;theoretical chemistry;quantum chemistry;reaction;kinetics;phase equilibria;multiphase system (en)
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| http://linked.open...ep/partnetrHlavni
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| http://linked.open...inujicichPrijemcu
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| http://linked.open...cep/pocetPrijemcu
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| http://linked.open...ocetSpoluPrijemcu
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| http://linked.open.../pocetVysledkuRIV
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| http://linked.open...enychVysledkuVRIV
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| http://linked.open...okUkonceniPodpory
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| http://linked.open...okZahajeniPodpory
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| http://linked.open...iciPoslednihoRoku
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| http://linked.open...atUdajeProjZameru
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| http://linked.open.../vavai/cep/soutez
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| http://linked.open...usZobrazovaneFaze
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| http://linked.open...ai/cep/typPojektu
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| http://linked.open.../cep/vedlejsiObor
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| http://linked.open...jektu+dodavatelem
| - Clarification of relationships between the structure and properties of various forms of matter and of the mechanism of chemical reactions at the microscopic and macroscopic levels. Progress in the knowledge of laws governing chemical processes. (en)
- Bylo dosaženo pokroku v objasňování vztahu mezi strukturou a vlastnostmi různých forem látek a v objasňování mechanismu chemických reakcí a procesů na mikroskopické a makroskopické úrovni. Byly rozšířeny znalosti zákonitostí ovládajících chemické děje. (cs)
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| http://linked.open...tniCyklusProjektu
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| http://linked.open.../cep/klicoveSlovo
| - kinetics
- quantum chemistry
- reaction
- phase equilibria
- theoretical chemistry
- chemical physics
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| is http://linked.open...vavai/riv/projekt
of | - Different Approaches for the Calculation of Electronic Excited States of Nonstoichiometric Alkali Halide Clusters: The Example of Na3F
- Postup izotachoforetického stanovení kyseliny thioglykolové v moči za odsolení a úpravy pH analyzovaného vzorku
- Thermochemical properties of composites of synthetic zeolite ZSM5 and silver iodide
- Multiple pathways in the photodynamics of a polar .pi.-bond: A case study of silaethylene
- Multireference Brillouin-Wigner coupled clusters method with noniterative perturbative connected triples
- The singlet-triplet gap in trimethylenmethane and the ring-opening of methylenecyclopropane: A multireference Brillouin-Wigner coupled cluster study
- Multiconfiguration SCF electric field gradients in (NO)2 and its singly charged ions
- Substituent Effects on Reduction of Some 3,6-Disubstituted-4-amino-1,2,4-triazin-5-(4H)-ones
- Aggregation and Photophysical Properties of Water-Soluble Sapphyrins
- Electrochemical Doping of Double Walled Carbon Nanotubes: An In situ Raman Spectroelectrochemical Study
- Effect of Oxygen on the Mn-Co Ferromagnetic Coupling
- Electrochemical Approach to Carbon Nanostructures
- Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations
- Multireference Brillouin-Wigner coupled cluster method with singles, doubles, and triples: Efficient implementation and comparison with approximate approaches
- Method of moments for the continuous transition between the Brillouin-Wigner-type and Rayleigh-Schroumldinger-type multireference coupled cluster theories
- Coordinated FA-MS and SIFT-MS analyses of breath following ingestion of D2O and ethanol; total body water, dispersal kinetics and ethanol metabolism
- Multireference coupled cluster method based on the Brillouin-Wigner perturbation theory
- A comparative study of the adsorbed Pb(II), Cd (II) and Zn (II) on smectite, kaolinite and illite using XPS
- A convenient method for calculation of ionic diffusion coefficients for accurate selected ion flow tube mass spectrometry, SIFT-MS
- Collisions of slow polyatomic ions with surfaces: Dissociation and chemical reactions of C2H2+center dot, C2H3+, C2H4+center dot C2H5+, and their deuterated variants C2D2+center dot and C2D4+center dot on room-temperature and heated carbon surfaces
- Gaseous Emissions from the Fluidized-bed Incineration of Sewage Sludge
- Isothermal Vapour-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Propanol, Diisopropyl Ether and 4-Methyl-2-Pentanone
- Vapor-Liquid Equilibria in the Binary and Ternary Systems Composed of 2-Methylpentane, 3-Methyl-2-Butanone and 3-Methyl-2-Butanol
- Microwave Photochemistry III. Photochemistry of 4-tert-Butylphenol
- Microwave Photochemistry: Preparation of the Electrodeless Discharge Lamps and Their Photochemical Applications
- Effect of an External Excitation on the Flow Structure in a Circular Impinging Jet
- Gaseous Emissions from the Fluidized-bed Incineration of Sewage Sludge
- Electron Affinities of BN, NO and NF: Coupled Cluster and Multireference Configuration Interaction Calculations
- Many-body Brillouin-Wigner second-order perturbation theory using a multireference formulation: an application to bond breaking in the diatomic hydrides BH and FH
- Multi-reference Brillouin-Wigner coupled-cluster method with a general model space
- Carboranethiol-modified gold surfaces. A study and comparison of modified cluster and flat surfaces
- Morphology and structure of silicalite-1 crystals. Evidence of twinning by X-ray and electron diffraction
- Microwave Photochemistry IV: Preparation of the Electrodeless Discharge Lamps for Photochemical Applications
- Modeling of Supercritical Fluid Extraction of Bioactives from Plant Materials
- Hydroamination of Methyl Methacrylate Catalyzed by Cationic Palladium Diphosphinoazine Complexes
- Isothermal Vapour-Liquid Equilibria in Binary Mixtures of 1,2-Dichloroethane and 1,1,1-Trichloroethane with Cyclopentanone at Temperatures from 298.15 to 313.15 K.
- An Alternative Technique for the Interpretation of Temperature Measurements Using Thermochromic Liquid Crystals.
- Supercritical CO2 Extraction of Essential Oil from Yarrow.
- Supercritical Fluid Extraction of Lignans and Cinnamic Acid from Schizandra chinensis.
- Room-Temperature Synthesis of Carbonaceous Films of Defined Thickness
- Voltametric Determination of Adenine, Guanine and DNA Using Liquid Mercury Free Polished Silver Solid Amalgam Electrode
- Angle Resolved X-ray Photoelectron Spectroscopy Study of Au Deposited on Pt and Re Surfaces
- Two Positions of Potasium in Chemically Doped C60 Peapods: An in situ Spectroelectrochemical Study
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| is http://linked.open...vavai/cep/projekt
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