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Crystal Structures of Selected Energetic Materials Calculated by Molecular Simulations
Crystal Structures of Selected Energetic Materials Calculated by Molecular Simulations...
JY - Střelné zbraně, munice, výbušniny, bojová vozidla
- 2006 •
- D
Rok uplatnění
D - Stať ve sborníku
European Workshop on the Principles and Clinical Implementation of Dose Calculation in Molecular Radiotherapy
The workshop was focused on the clinical implementation and supporting principles of molecular radiotherapy (MRT) dose calculations.
Nuclear physics
- 2018 •
- W •
- Link
Rok uplatnění
W - Uspořádání workshopu
Výsledek na webu
Use of Calculated Molecular Spectra in Plasma Diagnostics
The spectra of diatomic moleculs are calculated on the basis of molecular constants. The calculated spectra can be used for fast determination of plasma parameters from the experimental spectra with low resulution. The spec...
BL - Fyzika plasmatu a výboje v plynech
- 2001 •
- D
Rok uplatnění
D - Stať ve sborníku
Calculation of low-energy electron dissociative attachment of molecular hydrogen for plasma applications
Annotation in the original language is: Calculation of low-energy electron dissociative attachment of molecular hydrogen for plasma applications......
BG - Jaderná, atomová a molekulová fyzika, urychlovače
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Sources of uncerntainties in calculation of heat capacities of gaseous compounds.
Sources of uncerntainties in calculation of heat capacities of gaseous compounds from the molecular vibrations are discussed. The quantum chemical calculations as a source of molecular wave numbers are taken into a...
CF - Fyzikální chemie a teoretická chemie
- 2008 •
- D
Rok uplatnění
D - Stať ve sborníku
Computational services for permeability and molecular docking calculations
Computational services: Permeability/partitioning calculation predictions for molecules to skin, cells and water; Molecular docking into receptors; In silico cleavage analysis for human, liver, skin, blood and non-enzymatic......
Physical chemistry
- 2024 •
- Vsouhrn •
- Link
Rok uplatnění
Vsouhrn - Souhrnná výzkumná zpráva
Výsledek na webu
Like-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations
Pairing of guanidinium moieties in water is explored by molecular dynamics simulations of short arginine-rich peptides and ab initio calculations of a pair of guanidinium ions in water clusters....
CF - Fyzikální chemie a teoretická chemie
- 2011 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
COMPUTATIONAL CHEMISTRY FOR TEXTILE MATERIAL ENGINEERING
In paper is showed: molecular computation enable too calculate of actual properties of materials and calculations internal structural parameters of materials in the molecular dimension....
JJ - Ostatní materiály
- 2004 •
- D
Rok uplatnění
D - Stať ve sborníku
A molecular dynamics study of the effects of fast molecular motions on solid-state NMR parameters
of DFT molecular dynamics and calculations of shielding and electric field gradientThe influence of fast molecular motions on NMR parameters in molecular organic demonstrate that molecular motion has a si...
CC - Organická chemie
- 2013 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Study of the betulin molecule in a water environment; ab initio and molecular simulation calculations
Ab initio and molecular simulation methods were used in calculations of the neutral individual betulin molecule, and molecular simulations were used to optimize initio calculations obtained in the Gaussian03 progra...
CF - Fyzikální chemie a teoretická chemie
- 2012 •
- Jx •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
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