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Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity
quantum-chemical calculations...
CF - Fyzikální chemie a teoretická chemie
- 2003 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
The Influence of a sugar-phosphate backbone on the cisplatin-bridged BpB´ models of DNA purine bases. Quantum chemical calculations of Pt(II) bonding characteristics
The Influence of a sugar-phosphate backbone on the cisplatin-bridged BpB´ models of DNA purine bases. Quantum chemical calculations of Pt(II) bonding characteristics......
CF - Fyzikální chemie a teoretická chemie
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Quantum chemical calculations of 15N NMR chemical shifts of 6-benzylaminopurin
Quantum chemical calculations of 15N NMR chemical shifts were performed. Calculated values were compared with the experimental results....
CF - Fyzikální chemie a teoretická chemie
- 2003 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Quantum chemical sustainability assessment of Oxygen-containing Carbon Cluster Compounds with Alkali Metals Cations
carried out according to quantum chemical calculations of semi-empirical MNDO.In this paper, the authors presented first results on the theoretically studying of adsorption of alkali metal cations on the...
Physical chemistry
- 2017 •
- Jost
Rok uplatnění
Jost - Ostatní články v recenzovaných periodicích
Quantum chemical calculations of the chemical shifts of the salts of the protopine alkaloids
The structure of the trans and cis isomers of the protopine hydrochloride was studied by the X-ray analysis, NMR measurments and quantum chemical calculations....
CF - Fyzikální chemie a teoretická chemie
- 2002 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Can the pH value of water solutions be estimated by quantum chemical calculations of small water clusters?(No. 194518)
Can the pH value of water solutions be estimated by quantum chemical calculations of small water clusters?...
BO - Biofyzika
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Base stacking and base pairing. Advanced quantum chemical studies
This chapter summarizes molecular interactions of nucleic acid bases as revealed by advanced ab initio quantum chemical calculations....
BO - Biofyzika
- 2006 •
- C
Rok uplatnění
C - Kapitola v odborné knize
Classification and energetics of the base-phosphate interactions in RNA
By extracting and superimposing base-phosphate (BPh) interactions from a reduced redundancy subset of 3D structures from the PDB, we identified recurrent phosphate-binding sites on the RNA bases. Quantum chemical calculations
BO - Biofyzika
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Quantum chemical calculations of NMR parameters of Co and Au complexes with nitrogen heterocycles
NMR parameters of Co and Au complexes with nitrogen heterocycles were calculated.
CF - Fyzikální chemie a teoretická chemie
- 2006 •
- D
Rok uplatnění
D - Stať ve sborníku
Nature and magnitude of aromatic stacking of nucleic acid bases
This work summarises recent advances in quantum chemical calculations of base-phase basestacking energies, as revealed by quantum chemical (QM) calculations discussed in quantum chemi...
BO - Biofyzika
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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