Combination of modeling and experiment in analysis of partially disordered structures
Čapková, P.; Repáková, J.; Koudelka, B.; Pospíšil, M.; Trchová, Miroslava; Weiss, Z.; Zima, V.; Ilavský, Michal
2003 - English
An overview of structures solved by this method will be presented, especially intercalates, liquid crystals and liquid crystalline polymers.
Keywords:
partially disordered structures
Available at various institutes of the ASCR
Combination of modeling and experiment in analysis of partially disordered structures
An overview of structures solved by this method will be presented, especially intercalates, liquid crystals and liquid crystalline polymers.
Structure and function of molecular systems
Hašek, Jindřich
2003 - English
Keywords:
molecular structure; databases; protein structure
Available at various institutes of the ASCR
Structure and function of molecular systems
Molecular modeling of biomolecules
Skálová, Tereza
2003 - English
This contribution gives a short review of molecular modelling methods suitable for proteins and their interactions with ligands.
Keywords:
molecular modeling; HIV protease; drug design
Available at various institutes of the ASCR
Molecular modeling of biomolecules
This contribution gives a short review of molecular modelling methods suitable for proteins and their interactions with ligands.
Chemical transformations of poly[methyl(phenyl)silylene] under weatherometer exposure
Meszároš, Oto; Schmidt, Pavel; Pospíšil, Jan; Nešpůrek, Stanislav
2003 - English
Specific behavior of poly[methyl(phenyl)-silanediyl] upon photooxidation in Weathermeter ATLAS was monitored during FTIR spectroscopy. Photooxidation results in healing of Si-Si conjugation and formation of siloxane species.
Keywords:
polysilylene degradation; poly[methyl(phenyl)silylene]; weatherometer
Available at various institutes of the ASCR
Chemical transformations of poly[methyl(phenyl)silylene] under weatherometer exposure
Specific behavior of poly[methyl(phenyl)-silanediyl] upon photooxidation in Weathermeter ATLAS was monitored during FTIR spectroscopy. Photooxidation results in healing of Si-Si conjugation and ...
FTIR spectroscopic study of the protonation of conducting polymer with energetic compound
Trchová, M.; Sapurina, I.; Stejskal, Jaroslav
2002 - English
Preparation of materials combining the features of conducting polymers and energetic compounds is demonstrated. The FTIR spectra are used to discuss changes in the molecular structure of product of protonation reaction between two non-conducting compounds, polyaniline base and 3-nitro-1,2,4-triazol-5-one.
Keywords:
FTIR spectroscopy; energetic compounds; conducting polymer
Available at various institutes of the ASCR
FTIR spectroscopic study of the protonation of conducting polymer with energetic compound
Preparation of materials combining the features of conducting polymers and energetic compounds is demonstrated. The FTIR spectra are used to discuss changes in the molecular structure of product of ...
Photoinduced Darkening and Bleaching in Amorphous As2S3 Thin Films
Munzar, Martin; Tichý, Ladislav
2002 - English
Photodarkening significantly depends on the (the excitation light wavelength, the penetration depth of the excitation light, the incident photon flux and the number of absorbed photons in a sample.
Keywords:
amorphous As2S3; spectra response; photoinduced darkening and bleaching; bělení; tenké vrstvy
Available at various institutes of the ASCR
Photoinduced Darkening and Bleaching in Amorphous As2S3 Thin Films
Photodarkening significantly depends on the (the excitation light wavelength, the penetration depth of the excitation light, the incident photon flux and the number of absorbed photons in a sample.
FTIR spectroscopic study of the protonation of conducting polymer with energetic compound
Trchová, M.; Sapurina, I.; Stejskal, Jaroslav
2002 - English
The preparation of materials combining the features of conducting polymers and energetic compounds is demonstrated. The FTIR spectra are used to discuss changes in the molecular structure of product of protonation reaction between two non-conducting coumpounds, polyaniline (PANI) base and 3-nitro-1,2,4-triazol-5-one (NTO). The progress of protonat ion of PANI with NTO was assessed by the changes in conductivity.
Keywords:
FTIR spectroscopy; energetic compounds; conducting polymers
Available at various institutes of the ASCR
FTIR spectroscopic study of the protonation of conducting polymer with energetic compound
The preparation of materials combining the features of conducting polymers and energetic compounds is demonstrated. The FTIR spectra are used to discuss changes in the molecular structure of product ...
Electrical noise in thin films of metal-free phthaloxyanine
Nešpůrek, Stanislav; Šikula, J.
2002 - English
Results of the measurement of current-voltage (I ~ U) characteristics and current noises in this films of metal free phthalocyanine are reported. I ~ U curves are typical of space-charge-limited currents. The noise in low-frequency region is of the 1/f type. A generation-recombination noise prevails in the higher frequency region.
Keywords:
electrical noise; metal-free phthalocyanine; current-voltage characteristics.
Available at various institutes of the ASCR
Electrical noise in thin films of metal-free phthaloxyanine
Results of the measurement of current-voltage (I ~ U) characteristics and current noises in this films of metal free phthalocyanine are reported. I ~ U curves are typical of space-charge-limited ...
Quantum mechanical calculations of the properties of oligosilanes
Toman, Petr
2002 - English
Quantum mechanical study of polarons in oligo[methyl(phenyl)silanes] (OMPSi) was performed. The conformations of the defect-free OMPSi and OMPSi containing positive and negative polaron were optimized by measns of B3LYP method. For comparison and evaluation of the substituent effects, the conformation of the unsubstituted oligosilane was also calculated. The conformations were described by means of Si-Si bond lengths and Si-Si-Si bond angles. The negative polaron conformation shows a significant chain stretching. On the other hand, the positive polaron conformation is shrunk. The explanation is based on the changes of the electron densities. There is also a strong influence of the substituents on the conformation of the negative polaron. The middle Si-Si bond is much shorter for the substitute oligomer and the bond angles are smaller. On the other hand, the influence of the substituents on the conformation of the positive polaron is small.
Keywords:
quantum mechanical study; polarons; oligo[methyl(phenyl)silanes]
Available at various institutes of the ASCR
Quantum mechanical calculations of the properties of oligosilanes
Quantum mechanical study of polarons in oligo[methyl(phenyl)silanes] (OMPSi) was performed. The conformations of the defect-free OMPSi and OMPSi containing positive and negative polaron were optimized ...
Film-forming properties of model latex binders with structured particles
Ritz, P.; Kadrnka, B.; Faltejsková, M.; Šňupárek, J.; Quadrat, Otakar
2002 - English
The film forming behaviour of latexes of structured particles depends primarily on the hardness and polarity of shell layer. In addition to the carboxylic group content in the copolymer, also their origin was an important factor influencing particle swelling.
Keywords:
latexes; structured particles; film formation
Available at various institutes of the ASCR
Film-forming properties of model latex binders with structured particles
The film forming behaviour of latexes of structured particles depends primarily on the hardness and polarity of shell layer. In addition to the carboxylic group content in the copolymer, also their ...
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