National Repository of Grey Literature 20 records found  1 - 10next  jump to record: Search took 0.01 seconds. 
Ab initio quantum chemical investigation of phenylacetylene complexes
Sedlák, Róbert
The thesis is focused on quantum-chemistry investigation of non-covalent: hydrogen bonded complexes of phenylacetylene with various molecules: water, ammonia, methanol, methylamine, borane trimethylamine. Mainly explain methyl induced switching of the binding motif. First chapter describes properties of the phenylacetylene molecule, mainly its multifunctionality according to present binding motifs in different complexes. Chapter number two treats the experimental background of the thesis, cite used spectroscopic methods. Interpretation of experimentaly observed spectra is also presented. Third chapter shows metodology used to find local minimas at potential energy surface. Transition from interaction energy to Gibbs free energy is also presented. Chapter also include proper describtion of some of the computational methods for example: DFT-SAPT. Last chapter presents results and interprets connection between theory and experiment, which leads to better understanding of observed phenomena.
Perception of vehicle speed
Šlapalová, Eva ; Sedlák, Robert (referee) ; Bilík, Martin (advisor)
This diploma thesis deals with the perception of the speed of the vehicle from the point of view of the driver without the possibility of checking the speedometer. The theoretical part is devoted to the driver as a risk factor and vehicle research. The practical part consists of conducted driving tests concerning the subjective perception of the driver according to age, experience and type of vehicle.
Quantum-chemical study of noncovalent interactions
Sedlák, Róbert ; Hobza, Pavel (advisor) ; Havlas, Zdeněk (referee) ; Černušák, Ivan (referee)
The aim of this thesis is to investigate strength and origin of the stabilization for various types of noncovalent interactions. As this knowledge could lead to a deeper understand- ing and rationalization of the binding phenomena. Further, to participate on the de- velopment of new noncovalent data sets, which are nowadays inevitable in the process of parametrization and validation of new computational methods. In all the studies, different binding motifs of model complexes, which represent usually crystal structures, structures from unrelaxed scans or the local minima, were investi- gated. The calculations of the reference stabilization energies were carried out at ab initio level (e.g. CCSD(T)/CBS, QCISD(T)/CBS). Further, the accuracy of more ap- proximate methods (e.g. MP2.5, DFT-D or SQM methods) toward reference method, was tested. In order to obtain the nature of the stabilization the DFT-SAPT decompo- sition was frequently utilized. In the first part of the thesis, the importance and basic characteristics of different types of noncovalent interactions (e.g. halogen bond, hydrogen bond, π· · · π interaction etc.), are discussed. The second part provides the description of computational methods which were essential for our investigation. The third part of the thesis provides an overview for part...
Ab initio quantum chemical investigation of phenylacetylene complexes
Sedlák, Róbert
The thesis is focused on quantum-chemistry investigation of non-covalent: hydrogen bonded complexes of phenylacetylene with various molecules: water, ammonia, methanol, methylamine, borane trimethylamine. Mainly explain methyl induced switching of the binding motif. First chapter describes properties of the phenylacetylene molecule, mainly its multifunctionality according to present binding motifs in different complexes. Chapter number two treats the experimental background of the thesis, cite used spectroscopic methods. Interpretation of experimentaly observed spectra is also presented. Third chapter shows metodology used to find local minimas at potential energy surface. Transition from interaction energy to Gibbs free energy is also presented. Chapter also include proper describtion of some of the computational methods for example: DFT-SAPT. Last chapter presents results and interprets connection between theory and experiment, which leads to better understanding of observed phenomena.
Analysis of vehicles driving maneuvers at low coefficient of adhesion
Šabík, Matúš ; Sedlák, Robert (referee) ; Tokař, Stanislav (advisor)
This master’s thesis deals with driving maneuvers at low coefficient of adhesion, especially in winter season. It includes a list of adhesion coefficients on many surfaces, published by various authors. Figures were through the use of statistical methods divided into normal and exceeding. There are described terms having impact on adhesion. For determination of adhesion was used tests like emergency braking, circle test and slalom. The major part contains specification of used vehicles, surfaces, weather conditions, measuring devices and realized tests. In addition to using accelerometer, there was a successful attempt to use timekeeping facilities to determine deceleration of vehicle. Acquired data were processed and compared to another publications.
Kvalitní prostředí pro pěší jako předpoklad udržitelného rozvoje měst
Sedlák, Robert
Udržitelný rozvoj patří v posledních dvou desetiletích k hojně diskutovanému tématu v mnoha vědních oborech. Mnozí autoři se shodují na tom, že udržitelného rozvoje světa nelze dosáhnout bez udržitelného rozvoje měst. Ve svém doktorandském studiu se zaměřuji na popsání a možnosti praktické aplikace principů udržitelného rozvojem měst. V tomto příspěvku se budu podrobněji věnovat jednomu z možných přístupů k udržitelnosti měst, a sice systematickou podporou pěší dopravy. Uvedu argumenty, proč by chodec měl být postaven na vrchol hierarchie uživatelů veřejných prostranství a dopravního systému města. Dále zmíním příklady konkrétních strategií a postupů měst, která systematicky zlepšují podmínky pro pěší. Cílem práce je poukázat na spojitost mezi tématy pěší dopravy a udržitelného rozvoje měst. V rámci svého studia chci dále tuto spojitost využít pro formulaci zásad a postupů, které by měly být uplatňovány v územním a strategickém plánování měst.

National Repository of Grey Literature : 20 records found   1 - 10next  jump to record:
See also: similar author names
2 Sedlák, Radek
1 Sedlák, Radko
2 Sedlák, Radoslav
10 Sedlák, Robert
3 Sedlák, Roman
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