화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Reduction of Nitroaromatic Compounds on the Surface of Metallic Iron: Quantum Chemical Study
Zilberberg I, Pelmenschikov A, Mcgrath CJ, Davis WM, Leszczynska D, Leszczynski J
International Journal of Molecular Sciences, 3(7), 801, 2002
2 Small clusters of water adsorbed on the bilayer-terminated ice surface: Infrared reflection adsorption spectra and quantum chemical calculations
Pelmenschikov A, Ogasawara H
Journal of Physical Chemistry A, 106(9), 1695, 2002
3 Mechanism of dissolution of neutral silica surfaces: Including effect of self-healing
Pelmenschikov A, Leszczynski J, Pettersson LGM
Journal of Physical Chemistry A, 105(41), 9528, 2001
4 A density functional theory study of vibrational coupling between ribose and base rings of nucleic acids with ribosyl guanosine as a model system
Pelmenschikov A, Hovorun DM, Shishkin OV, Leszczynski J
Journal of Chemical Physics, 113(14), 5986, 2000
5 Revealing the role of water in the acid-base interaction between the phosphate groups of DNA and the amino acid side chains of proteins: A density functional theory study of molecular models
Pelmenschikov A, Yin XD, Leszczynski J
Journal of Physical Chemistry B, 104(9), 2148, 2000
6 Lattice resistance to hydrolysis of Si-O-Si bonds of silicate minerals: Ab initio calculations of a single water attack onto the (001) and (111) beta-cristobalite surfaces
Pelmenschikov A, Strandh H, Pettersson LGM, Leszczynski J
Journal of Physical Chemistry B, 104(24), 5779, 2000
7 Can the three-coordinated Mg site of MgO accommodate more than one CO molecule?
Pelmenschikov A, Morosi G, Gamba A, Coluccia S, Martra G, Pettersson LGM
Journal of Physical Chemistry B, 104(48), 11497, 2000
8 Adsorption of 1,3,5-trinitrobenzene on the siloxane sites of clay minerals: Ab initio calculations of molecular models
Pelmenschikov A, Leszczynski J
Journal of Physical Chemistry B, 103(33), 6886, 1999