Filtry
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
MP2 and CCSD(T) complete basis set (CBS) limit interaction energies and geometries for more than 100 DNA base pairs, amino acid pairs and model complexes are for the first time presented together....
CF - Fyzikální chemie a teoretická chemie
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Electroweak interactions and high-energy limit: An introduction to equivalence theorem
BF - Elementární částice a fyzika vysokých energií
- 1997 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
On the optimization of the DF-SAPT-DFT interaction energies of hydrogen-bonded systems
The DF-SAPT-DFT interaction energies of 15 hydrogen-bonded systems were confronted with their supermolecular counterparts obtained by combining the RI-MP2/CBS and CCSD(T)/aug-cc-pVDZ results. The former were assumed to approach the ...
CD - Makromolekulární chemie
- 2009 •
- D
Rok uplatnění
D - Stať ve sborníku
Laser ion acceleration in a mass limited targets
Laser interactions with mass-limited targets (MLT) are studied via 2D3V the simulation results. MLT limit undesirable spread of absorbed laser energy out of the interaction zone. MLT, such as droplets, are...
BL - Fyzika plasmatu a výboje v plynech
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Stabilisation energy of C6H6 ... C6X6 (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels
hexabromobenzene. The SAPT decomposition of interaction energy into its components showsStabilisation energies of stacked structures of C6H6...C6X6 (X = F, Cl, Br, I, CN) complexes were determined at the CCSD(T) complete b...
CF - Fyzikální chemie a teoretická chemie
- 2007 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the "Gold Standard," CCSD(T) at the Complete Basis Set Limit?
complexes. The final CCSID(T) results at the complete basis set limit with corrections to these approximations are the most accurate estimate of the true interaction energies in noncovalent 1.5% of the interaction...
CF - Fyzikální chemie a teoretická chemie
- 2013 •
- Jx •
- Odkaz
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Damping caused by interaction of limited energy source and vibrating system.
Annotation not available...
BI - Akustika a kmity
- 2000 •
- D
Rok uplatnění
D - Stať ve sborníku
Wind energy and its concurrence with other technologies
Article summarizes main technical limits of wind energy development. Basically are suitable for wind energy development. The main technical limitations include crucial factors limiting the wind energy<...
JE - Nejaderná energetika, spotřeba a užití energie
- 2009 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit
are compared to the high-quality DFT-SAPT/CBS interaction energies in small complexes interaction energies.The dispersion energy term in the symmetry-adapted perturbation theory based are practical, can b...
CF - Fyzikální chemie a teoretická chemie
- 2011 •
- Jx •
- Odkaz
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Highly Accurate CCSD(T) and DFT-SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer
The CCSD(T) interaction energies for the H-bonded and stacked structures of the uracil dimer are determined at the aug-cc-pVDZ and aug-cc-pVTZ levels. On the basis of these calculations we can construct the CCSD(T) interaction
CF - Fyzikální chemie a teoretická chemie
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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