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density functional theory
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Jan Florián
External person
16 publications
Publications
publication
The Prediction of Raman Spectra by Density Functional Theory: Preliminary Findings
1995 |
Publication without faculty affiliation
publication
Structure, Energetics and Force Fields of the Cyclic Formamide Dimer:MP2, Hartree-Fock and Density Functional Study
1995 |
Publication without faculty affiliation
publication
Vibrational Spectra of Hydrogen-Bonded Complexes on Zeolite Surfaces as a Benchmark for Evaluating Performance of Ab Initio Methods
1995 |
Publication without faculty affiliation
publication
Ab Initio Study of the Structure of Guanine - Cytosine Base Pair Conformers in Gase Phase and Polar Solvent
1995 |
Publication without faculty affiliation
publication
On the Intermolecular Vibrational Modes of the Guanine-Cytosine, Adenine-Thymine and Formamide-Formamide H-Bonded Dimers
1995 |
Publication without faculty affiliation
publication
Theoretical Investigation of the Molecular Structure of the pí-kappa Base Pair
1995 |
Publication without faculty affiliation
publication
What Changes Occur in Vibratinal Spectra of Guanine and Cytosine When They Form the Watson-Crick Base Pair? A Quantum Chemical SCRF HF/6-31G* Study
1995 |
Publication without faculty affiliation
publication
Pyridinium Ions - New Probe for Basic Sites of Solids Acids
1995 |
Publication without faculty affiliation
publication
H-Bonding and Interaction Energy of Acetonitrile Neutral and Pyridine Ion-Pair Complexes in Zeolites of Various Acidity: FTIR and Ab Initio Study
1995 |
Publication without faculty affiliation
publication
Ab Initio Calculations of Vibrational Spectra of Sodium Dimethylphosphate
+1
1995 |
Publication without faculty affiliation
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