| 1 |
Exact and effective pair-wise potential for protein-ligand interactions obtained from a semiempirical energy partition
Carvalho ARF, Puga AT, Melo A
International Journal of Molecular Sciences, 9(9), 1652, 2008 |
| 2 |
Tuning the LUMO level of the acceptor to increase the open-circuit voltage of polymer-fullerene solar cells: A quantum chemical study
Morvillo P, Bobeico E
Solar Energy Materials and Solar Cells, 92(10), 1192, 2008 |
| 3 |
Influence of donor and acceptor substituents on the electronic characteristics of poly (fluorene-phenylene)
Zeng G, Chua SJ, Huang W
Thin Solid Films, 417(1-2), 194, 2002 |
| 4 |
Water at the interface modified silica filler-polydimethylsiloxane: quantum-chemical modelling
Nikitina E, Barthel H, Khavryutchenko V, Sheka E
Composite Interfaces, 8(3-4), 291, 2001 |
| 5 |
Partial oxidation of methane on the SiO2 surface - A quantum chemical study
Ozturk S, Onal I, Senkan S
Industrial & Engineering Chemistry Research, 39(2), 250, 2000 |
| 6 |
Optical limiting chromophores. Correlation effects in computing triplet-triplet absorption energies of organic molecules
Albert IDL, Marks TJ, Ratner MA, Rauh RD
Journal of Physical Chemistry A, 104(4), 837, 2000 |
| 7 |
Solvent as electron donor: Donor/acceptor electronic coupling is a dynamical variable
Castner EW, Kennedy D, Cave RJ
Journal of Physical Chemistry A, 104(13), 2869, 2000 |
| 8 |
CISINDO/S SCRF study of electron transfer excited states in a 1-pyrenyl substituted 1-methyluracil-5-carboxamide nucleoside model: Dielectric continuum solvation effects on electron transfer states
Mitchell CD, Netzel TL
Journal of Physical Chemistry B, 104(1), 125, 2000 |
| 9 |
Synthesis and photophysics of a 1-pyrenyl substituted 2 ＇-deoxyuridine-5-carboxamide nucleoside: Electron transfer products as CISINDO/S excited states
Kerr CE, Mitchell CD, Headrick J, Eaton BE, Netzel TL
Journal of Physical Chemistry B, 104(7), 1637, 2000 |
| 10 |
Synthesis and photophysics of a 1-pyrenylmethyl-substituted 2 ＇-deoxyuridine-5-carboxamide nucleoside: Electron-transfer product lifetimes and energies
Kerr CE, Mitchell CD, Ying YM, Eaton BE, Netzel TL
Journal of Physical Chemistry B, 104(9), 2166, 2000 |
