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Results:
1-11
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Results: 11
Authors:
Pelmenschikov, A
Leszczynski, J
Pettersson, LGM
Citation: A. Pelmenschikov et al., Mechanism of dissolution of neutral silica surfaces: Including effect of self-healing, J PHYS CH A, 105(41), 2001, pp. 9528-9532
Authors:
Pettersson, LGM
Nilsson, A
Myneni, S
Luo, Y
Nyberg, M
Cavalleri, M
Ojamae, L
Naslund, LA
Ogasawara, H
Odelius, M
Pelmenschikov, A
Citation: Lgm. Pettersson et al., Electronic structure effects from hydrogen bonding in the liquid phase andin chemisorption: an integrated theory and experimental effort, J SYNCHROTR, 8, 2001, pp. 136-140
Authors:
Pelmenschikov, A
Yin, XD
Leszczynski, J
Citation: A. Pelmenschikov et al., 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, J PHYS CH B, 104(9), 2000, pp. 2148-2153
Authors:
Pelmenschikov, A
Morosi, G
Gamba, A
Coluccia, S
Martra, G
Pettersson, LGM
Citation: A. Pelmenschikov et al., Can the three-coordinated Mg site of MgO accommodate more than one CO molecule?, J PHYS CH B, 104(48), 2000, pp. 11497-11500
Authors:
Pelmenschikov, A
Strandh, H
Pettersson, LGM
Leszczynski, J
Citation: A. Pelmenschikov et al., Lattice resistance to hydrolysis of Si-O-Si bonds of silicate minerals: Abinitio calculations of a single water attack onto the (001) and (111) beta-cristobalite surfaces, J PHYS CH B, 104(24), 2000, pp. 5779-5783
Authors:
Shishkin, OV
Pelmenschikov, A
Hovorun, DM
Leszczynski, J
Citation: Ov. Shishkin et al., Theoretical analysis of low-lying vibrational modes of free canonical 2-deoxyribonucleosides, CHEM PHYS, 260(3), 2000, pp. 317-325
Authors:
Shishkin, OV
Pelmenschikov, A
Hovorun, DM
Leszczynski, J
Citation: Ov. Shishkin et al., Molecular structure of free canonical 2 '-deoxyribonucleosides: a density functional study, J MOL STRUC, 526, 2000, pp. 329-341
Authors:
Pelmenschikov, A
Hovorun, DM
Shishkin, OV
Leszczynski, J
Citation: A. Pelmenschikov et al., A density functional theory study of vibrational coupling between ribose and base rings of nucleic acids with ribosyl guanosine as a model system, J CHEM PHYS, 113(14), 2000, pp. 5986-5990
Authors:
Pelmenschikov, A
Leszczynski, J
Citation: A. Pelmenschikov et J. Leszczynski, Adsorption of 1,3,5-trinitrobenzene on the siloxane sites of clay minerals: Ab initio calculations of molecular models, J PHYS CH B, 103(33), 1999, pp. 6886-6890
Authors:
Pelmenschikov, A
Zilberberg, I
Leszczynski, J
Famulari, A
Sironi, M
Raimondi, M
Citation: A. Pelmenschikov et al., cis-[Pt(NH3)(2)](2+) coordination to the N7 and O6 sites of a guanine-cytosine pair: disruption of the Watson-Crick H-bonding pattern, CHEM P LETT, 314(5-6), 1999, pp. 496-500
Authors:
Illas, F
Pacchioni, G
Pelmenschikov, A
Pettersson, LGM
Dovesi, R
Pisani, C
Neyman, KM
Rosch, N
Citation: F. Illas et al., First-principles determination of the bonding mechanism and adsorption energy for CO/MgO(001) - Comment, CHEM P LETT, 306(3-4), 1999, pp. 202-204
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