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3 838 (0,089s)

Result

Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: Nonempirical ab initio Calculations.

Original scientific paper dealing with Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: Nonempirical ab initio Calculations....

CF - Fyzikální chemie a teoretická chemie

  • 1999
  • Jx
Result

Nonempirical ab initio Calculations on DNA Base Pairs.

Annotation not available...

CF - Fyzikální chemie a teoretická chemie

  • 1996
  • Jx
Result

Structure and Properties of Benzene Containing Molecular Clusters: Nonempirical ab initio Calculations and Experiments.

Annotation not available...

CF - Fyzikální chemie a teoretická chemie

  • 1994
  • Jx
Result

Interactions of DNA Bases and the Structure of DNA. A Nonempirical ab initio Study with Inclusion of Electron Correlation. Chapter 6.

Annotation not available...

CF - Fyzikální chemie a teoretická chemie

  • 1996
  • C
Result

A Molecular Dynamics Study of the Benzene...Ar 2 Complex. Application of the Nonempirical ab initio and Empirical Lennard-Jones 6-12 Potentials.

Annotation not available...

CF - Fyzikální chemie a teoretická chemie

  • 1994
  • Jx
Result

Nature of Nucleic Acid-Base Stacking: Nonempirical ab Initio and Empirical Potential Characterization of 10 Stacked Base Dimers. Comparison of Stacked and H-Bonded Base Pairs.

Annotation not available...

BO - Biofyzika

  • 1996
  • Jx
Result

C-H...O Contacts in the Adenine...Uracil Watson-Crick and Uracil...Uracil Nucleic Acid Base Pairs: Nonempirical ab initio Study with Inclusion of Electron Correlation Effects.

Annotation not available...

CF - Fyzikální chemie a teoretická chemie

  • 2000
  • Jx
Result

Intercalators. 1. Nature of Stacking Interactions between Intercalators (Ethidium, Daunomycin, Ellipticine and 4'',6-Diaminide-2-phenylindole) and DNA Base Pairs. Ab initio Quantum Chemical, Density

Properties of isolated intercalators and their stacking interactions with adenine...thymine and quanine...cytosine nucleic acid base pairs were investigated by means of a nonempirical correlated ab initio method, DFT, and m...

CF - Fyzikální chemie a teoretická chemie

  • 2002
  • Jx
Result

Interaction of DNA Base Pairs with Various Metal Cations (Mg.deg.+, Ca.deg.+, Sr.deg.+, Ba.deg.+, Cu+, Ag+, Au+, Zn.deg.+, Cd.deg.+, and Hg.deg.+): Nonempirical ab initio Calculations on Structures

Annotation not available...

CF - Fyzikální chemie a teoretická chemie

  • 1997
  • Jx
Result

Performance of empirical potentials (AMBER,CFF95,CHARMM, OPLS, POLTEV), semiempirical quantum chemical methods (AM1, MNDO/M, PM3), and ab initio Hartree-Fock method for interaction of DNA

CF - Fyzikální chemie a teoretická chemie

  • 1997
  • Jx
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