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.

Čapková, P.; Repáková, J.; Koudelka, B.; Pospíšil, M.; Trchová, Miroslava; Weiss, Z.; Zima, V.; Ilavský, Michal
Ústav makromolekulární chemie, 2003

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

Hašek, Jindřich
Ústav makromolekulární chemie, 2003

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.

Skálová, Tereza
Ústav makromolekulární chemie, 2003

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 ...

Meszároš, Oto; Schmidt, Pavel; Pospíšil, Jan; Nešpůrek, Stanislav
Ústav makromolekulární chemie, 2003

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 ...

Trchová, M.; Sapurina, I.; Stejskal, Jaroslav
Ústav makromolekulární chemie, 2002

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.

Munzar, Martin; Tichý, Ladislav
Ústav makromolekulární chemie, 2002

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 ...

Trchová, M.; Sapurina, I.; Stejskal, Jaroslav
Ústav makromolekulární chemie, 2002

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 ...

Nešpůrek, Stanislav; Šikula, J.
Ústav makromolekulární chemie, 2002

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 ...

Toman, Petr
Ústav makromolekulární chemie, 2002

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 ...

Ritz, P.; Kadrnka, B.; Faltejsková, M.; Šňupárek, J.; Quadrat, Otakar
Ústav makromolekulární chemie, 2002