| 1 |
Calculations of the third-order nonlinear optical responses in push-pull chromophores with a time-dependent density functional theory
Kobko N, Masunov A, Tretiak S
Chemical Physics Letters, 392(4-6), 444, 2004 |
| 2 |
Calculation of trans-hydrogen-bond C-13-N-15 three-bond and other scalar J-couplings in cooperative peptide models. A density functional theory study
Salvador P, Kobko N, Wieczorek R, Dannenberg JJ
Journal of the American Chemical Society, 126(43), 14190, 2004 |
| 3 |
Cooperative hydrogen-bonding in adenine-thymine and guanine-cytosine base pairs. Density functional theory and Moller-Plesset molecular orbital study
Asensio A, Kobko N, Dannenberg JJ
Journal of Physical Chemistry A, 107(33), 6441, 2003 |
| 4 |
Cooperativity in amide hydrogen bonding chains. A comparison between vibrational coupling through hydrogen bonds and covalent bonds. Implications for peptide vibrational spectra
Kobko N, Dannenberg JJ
Journal of Physical Chemistry A, 107(34), 6688, 2003 |
| 5 |
Cooperativity in amide hydrogen bonding chains. Relation between energy, position, and H-bond chain length in peptide and protein folding models
Kobko N, Dannenberg JJ
Journal of Physical Chemistry A, 107(48), 10389, 2003 |
| 6 |
Effect of basis set superposition error (BSSE) upon ab initio calculations of organic transition states
Kobko N, Dannenberg JJ
Journal of Physical Chemistry A, 105(10), 1944, 2001 |
| 7 |
Cooperativity in amide hydrogen bonding chains: Implications for protein-folding models
Kobko N, Paraskevas L, del Rio E, Dannenberg JJ
Journal of the American Chemical Society, 123(18), 4348, 2001 |
