| 1 |
Three-dimensional networks of hydrogen bonds in periodic arrays of molecular modules containing amide-(ethylene glycol) and amide-(ethylene glycol)-amide: Ab initio picture
Malysheva L, Kapitanchuk O, Onipko A
Chemical Physics Letters, 591, 197, 2014 |
| 2 |
Long-Chain Alkylthiol Assemblies Containing Buried In-Plane Stabilizing Architectures
Lee HH, Ruzele Z, Malysheva L, Onipko A, Gutes A, Bjorefors F, Valiokas R, Liedberg B
Langmuir, 25(24), 13959, 2009 |
| 3 |
Ab initio modeling of defect signatures in infrared reflection-absorption spectra of SAMs exposing methyl- and hydrogen-terminated oligo(ethylene glycols)
Malysheva L, Onipko A, Liedberg B
Journal of Physical Chemistry A, 112(4), 728, 2008 |
| 4 |
Ab initio Modeling of amide-stabilized, oligo(ethylene glycol)-terminated self-assemblies: In-SAM molecular geometry, orientation, and hydrogen bonding
Malysheva L, Onipko A, Liedberg B
Journal of Physical Chemistry A, 112(8), 1683, 2008 |
| 5 |
First-principles modeling of oligo(ethylene glycol)-terminated and amide group containing alkanethiolates
Malysheva L, Onipko A, Valiokas R, Liedberg B
Applied Surface Science, 246(4), 372, 2005 |
| 6 |
Molecular orientation in helical and all-trans oligo(ethylene glycol)-terminated assemblies on gold: results of ab initio modeling
Malysheva L, Onipko A, Valiokas R, Liedberg B
Journal of Physical Chemistry A, 109(34), 7788, 2005 |
| 7 |
First-principle DFT and MP2 modeling of infrared reflection -Absorption spectra of oriented helical ethylene glycol oligomers
Malysheva L, Onipko A, Valiokas R, Liedberg B
Journal of Physical Chemistry B, 109(27), 13221, 2005 |
| 8 |
Ab initio calculations of equilibrium geometries and vibrational excitations of helical ethylene-glycol oligomers: application to modeling of monolayer infrared spectra
Malysheva L, Klymenko Y, Onipko A, Valiokas R, Liedberg B
Chemical Physics Letters, 370(3-4), 451, 2003 |
| 9 |
Analytical one-particle approach to the pi electronic structure of heterocyclic polymers
Onipko A, Klymenko Y, Malysheva L
Journal of Chemical Physics, 107(13), 5032, 1997 |
| 10 |
Effect of length and geometry on the highest occupied molecular orbital lowest unoccupied molecular orbital gap of conjugated oligomers: An analytical Huckel model approach
Onipko A, Klymenko Y, Malysheva L
Journal of Chemical Physics, 107(18), 7331, 1997 |
