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Results: 1-20 |
Results: 20

Authors: Reimann, B Buchhold, K Vaupel, S Brutschy, B Havlas, Z Spirko, V Hobza, P
Citation: B. Reimann et al., Improper, blue-shifting hydrogen bond between fluorobenzene and fluorobenzene, J PHYS CH A, 105(23), 2001, pp. 5560-5566

Authors: Bock, H Heigel, E Havlas, Z
Citation: H. Bock et al., Interaction in molecular crystals, 175. Crystal growth and structure determination of {cesium-tetraphenylimidodiphosphate} aggregates with differing lipophilic wrapping due to differently methyl-substituted phenyl rings, andrelativistic DFT-model calculations of cesium/cesium interactions, Z NATURFO B, 56(6), 2001, pp. 483-511

Authors: Havlas, Z Bock, H
Citation: Z. Havlas et H. Bock, Enhanced long-range Si center dot center dot center dot N interactions in organosilicon cations. A theoretical study, COLL CZECH, 66(3), 2001, pp. 473-482

Authors: Bock, H Seibel, A Sievert, M Havlas, Z
Citation: H. Bock et al., Interaction in molecular crystals, 155. Crystallization and structure determination of the radicalcation salt [Tetrahydrotetrathiafulvalenium(center dot circle plus)] [AlCl4 circle minus], Z NATURFO B, 55(7), 2000, pp. 597-602

Authors: Bock, H Gharagozloo-Hubmann, K Sievert, M Prisner, T Havlas, Z
Citation: H. Bock et al., Single crystals of an ionic anthracene aggregate with a triplet ground state, NATURE, 404(6775), 2000, pp. 267-269

Authors: Rulisek, L Havlas, Z
Citation: L. Rulisek et Z. Havlas, Ab initio calculations of [CoY6-nXn](2+) complexes, J CHEM PHYS, 112(1), 2000, pp. 149-157

Authors: Ruzicka, J Streinz, L Saman, D Havlas, Z Wimmer, Z Zarevucka, M Koutek, B Leseticky, L
Citation: J. Ruzicka et al., Chlorofluoroacetic acid as a highly versatile derivatizing agent: Assignment of stereochemistry to esters of chiral alcohols, COLL CZECH, 65(5), 2000, pp. 695-707

Authors: Hobza, P Havlas, Z
Citation: P. Hobza et Z. Havlas, Blue-shifting hydrogen bonds, CHEM REV, 100(11), 2000, pp. 4253-4264

Authors: Rulisek, L Havlas, Z
Citation: L. Rulisek et Z. Havlas, Theoretical studies of metal ion selectivity. 1. DFT calculations of interaction energies of amino acid side chains with selected transition metal ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+), J AM CHEM S, 122(42), 2000, pp. 10428-10439

Authors: Zharov, I King, BT Havlas, Z Pardi, A Michl, J
Citation: I. Zharov et al., Crystal structure of n-Bu3Sn+ CB11Me12-, J AM CHEM S, 122(41), 2000, pp. 10253-10254

Authors: Bock, H Havlas, Z Gharagozloo-Hubmann, K Sievert, M
Citation: H. Bock et al., The Li+-initiated twofold dehydrogenation and C-C bond formation of hexaphenylbenzene to the dilithium salt of the 9,10-diphenyltetrabenz[a,c,h,j] anthracene dianion, ANGEW CHEM, 38(15), 1999, pp. 2240-2243

Authors: Rulisek, L Havlas, Z
Citation: L. Rulisek et Z. Havlas, Ab initio calculations of monosubstituted (CH3OH, CH3SH, NH3) hydrated ions of Zn2+ and Ni2+, J PHYS CH A, 103(11), 1999, pp. 1634-1639

Authors: Havlas, Z Michl, J
Citation: Z. Havlas et J. Michl, Ab initio calculation of zero-field splitting and spin-orbit coupling in ground and excited triplets of m-xylylene, J CHEM S P2, (11), 1999, pp. 2299-2303

Authors: Solouki, B Bock, H Haas, A Baum, M Monse, C Havlas, Z
Citation: B. Solouki et al., Tellurocarbonyldifluoride and its derivatives: (HeI)-photoelectron spectraand HF, GF as well as DFT calculations, Z ANORG A C, 625(10), 1999, pp. 1726-1731

Authors: Vlcek, P Havlas, Z Pavlicek, Z
Citation: P. Vlcek et al., Are 1,4-dihydropyrazines antiaromatic? Ab initio study of 1,4-dihydropyrazines and their tetrahydro derivatives, COLL CZECH, 64(4), 1999, pp. 633-648

Authors: Hobza, P Havlas, Z
Citation: P. Hobza et Z. Havlas, The fluoroform center dot center dot center dot ethylene oxide complex exhibits a C-H center dot center dot center dot O anti-hydrogen bond, CHEM P LETT, 303(3-4), 1999, pp. 447-452

Authors: Hobza, P Spirko, V Havlas, Z Buchhold, K Reimann, B Barth, HD Brutschy, B
Citation: P. Hobza et al., Anti-hydrogen bond between chloroform and fluorobenzene, CHEM P LETT, 299(2), 1999, pp. 180-186

Authors: Bock, H Beck, R Havlas, Z Schodel, H
Citation: H. Bock et al., Lipophilically wrapped polyion aggregates, 130 - Tetralithium bis(ethylaluminum) tetrakis(catecholate) pentakis(dimethoxyethane): An oxygen-rich cluster [(Al++)(2)(Li+)(4)(O-18)(-8)] in a C36H44 hydrocarbon shell, EUR J INORG, (12), 1998, pp. 2075-2077

Authors: Bock, H Havlas, Z Krenzel, V
Citation: H. Bock et al., Long-range N -> Si interactions in organosilicon compounds with hepta- andoctacoordinate silicon centers, ANGEW CHEM, 37(22), 1998, pp. 3163-3166

Authors: Rulisek, L Havlas, Z Hermanek, S Plesek, J
Citation: L. Rulisek et al., Regular polyhedral molecules. P-20 and its inclusion compounds, CAN J CHEM, 76(9), 1998, pp. 1274-1279
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