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Results: 1-14 |
Results: 14
Upper limit of the O-H center dot center dot center dot O hydrogen bond. Ab initio study of the kaolinite structure
Authors: Benco, L Tunega, D Hafner, J Lischka, H
Citation: L. Benco et al., Upper limit of the O-H center dot center dot center dot O hydrogen bond. Ab initio study of the kaolinite structure, J PHYS CH B, 105(44), 2001, pp. 10812-10817
A density-functional investigation of aluminium(III)-citrate complexes
Authors: Aquino, AJA Tunega, D Haberhauer, G Gerzabek, MH Lischka, H
Citation: Aja. Aquino et al., A density-functional investigation of aluminium(III)-citrate complexes, PHYS CHEM P, 3(11), 2001, pp. 1979-1985
Response of sorption processes of MCPA to the amount and origin of organicmatter in a long-term field experiment
Authors: Haberhauer, G Pfeiffer, L Gerzabek, MH Kirchmann, H Aquino, AJA Tunega, D Lischka, H
Citation: G. Haberhauer et al., Response of sorption processes of MCPA to the amount and origin of organicmatter in a long-term field experiment, EUR J SO SC, 52(2), 2001, pp. 279-286
Decafluoroquarterphenyl - crystal and molecular structure solved from X-ray powder data
Authors: Smrcok, L Koppelhuber-Bitschnau, B Shankland, K David, WIF Tunega, D Resel, R
Citation: L. Smrcok et al., Decafluoroquarterphenyl - crystal and molecular structure solved from X-ray powder data, Z KRISTALL, 216(1), 2001, pp. 63-66
Ab initio density functional theory applied to the structure and proton dynamics of clays
Authors: Benco, L Tunega, D Hafner, J Lischka, H
Citation: L. Benco et al., Ab initio density functional theory applied to the structure and proton dynamics of clays, CHEM P LETT, 333(6), 2001, pp. 479-484
Molecular modelling - opportunities for soil research
Authors: Gerzabek, MH Aquino, AJA Haberhauer, G Tunega, D Lischka, H
Citation: Mh. Gerzabek et al., Molecular modelling - opportunities for soil research, BODENKULTUR, 52(2), 2001, pp. 133-146
Orientation of OH groups in kaolinite and dickite: Ab initio molecular dynamics study
Authors: Benco, L Tunega, D Hafner, J Lischka, H
Citation: L. Benco et al., Orientation of OH groups in kaolinite and dickite: Ab initio molecular dynamics study, AM MINERAL, 86(9), 2001, pp. 1057-1065
A density functional theoretical study on solvated Al3+-oxalate complexes:structures and thermodynamic properties
Authors: Aquino, AJA Tunega, D Haberhauer, G Gerzabek, M Lischka, H
Citation: Aja. Aquino et al., A density functional theoretical study on solvated Al3+-oxalate complexes:structures and thermodynamic properties, PHYS CHEM P, 2(13), 2000, pp. 2845-2850
Interaction of acetate anion with hydrated Al3+ cation: A theoretical study
Authors: Tunega, D Haberhauer, G Gerzabek, M Lischka, H
Citation: D. Tunega et al., Interaction of acetate anion with hydrated Al3+ cation: A theoretical study, J PHYS CH A, 104(29), 2000, pp. 6824-6833
Ab initio 2-D periodic Hartree-Fock study of Fe-substituted lizardite 1T -a simplified cronstedtite model
Authors: Scholtzova, E Smrcok, L Tunega, D Nagy, LT
Citation: E. Scholtzova et al., Ab initio 2-D periodic Hartree-Fock study of Fe-substituted lizardite 1T -a simplified cronstedtite model, PHYS CHEM M, 27(10), 2000, pp. 741-746
Prediction of crystal structures of two monosaccharides by potential energy minimisation
Authors: Smrcok, L Durik, M Tunega, D
Citation: L. Smrcok et al., Prediction of crystal structures of two monosaccharides by potential energy minimisation, Z KRISTALL, 215(4), 2000, pp. 254-259
4-(4-biphenyl)-2,3,5,6-tetrafluoropyridine, a new material for applicationin light-emitting diodes
Authors: Resel, R Thurner, P Kahlert, H Vollenkle, H Winkler, B Mullner, R Stelzer, F Tunega, D Leising, G
Citation: R. Resel et al., 4-(4-biphenyl)-2,3,5,6-tetrafluoropyridine, a new material for applicationin light-emitting diodes, ACT CRYST C, 55, 1999, pp. 693-695
Static electric properties of LiH: explicitly correlated coupled cluster calculations
Authors: Tunega, D Noga, J
Citation: D. Tunega et J. Noga, Static electric properties of LiH: explicitly correlated coupled cluster calculations, THEOR CH AC, 100(1-4), 1998, pp. 78-84
Modelling of the brucite sheet in lizardite
Authors: Scholtzova, E Tunega, D Nagy, LT
Citation: E. Scholtzova et al., Modelling of the brucite sheet in lizardite, CERAM-SILIK, 42(4), 1998, pp. 159-163
Risultati: 1-14 |