AAAAAA

   
Results: 1-25 | 26-27
Results: 1-25/27
Novel amide-based molecular knots: Complete enantiomeric separation, chiroptical properties, and absolute configuration
Authors: Vogtle, F Hunten, A Vogel, E Buschbeck, S Safarowsky, O Recker, J Parham, AH Knott, M Muller, WM Muller, U Okamoto, Y Kubota, T Lindner, W Francotte, E Grimme, S
Citation: F. Vogtle et al., Novel amide-based molecular knots: Complete enantiomeric separation, chiroptical properties, and absolute configuration, ANGEW CHEM, 40(13), 2001, pp. 2468
Electron energy loss and dissociative electron attachment spectroscopy of methyl vinyl ether and related compounds
Authors: Bulliard, C Allan, M Grimme, S
Citation: C. Bulliard et al., Electron energy loss and dissociative electron attachment spectroscopy of methyl vinyl ether and related compounds, INT J MASS, 205(1-3), 2001, pp. 43-55
Absorption and fluorescence excitation spectra of 9-(N-carbazolyl)-anthracene: Effects of intramolecular vibrational redistribution and diabatic transitions involving electron transfer
Authors: Evers, F Giraud-Girard, J Grimme, S Manz, J Monte, C Oppel, M Rettig, W Saalfrank, P Zimmermann, P
Citation: F. Evers et al., Absorption and fluorescence excitation spectra of 9-(N-carbazolyl)-anthracene: Effects of intramolecular vibrational redistribution and diabatic transitions involving electron transfer, J PHYS CH A, 105(12), 2001, pp. 2911-2924
DFT/MRCI calculations on the excited states of porphyrin, hydroporphyrins,tetrazaporphyrins and metalloporphyrins
Authors: Parusel, ABJ Grimme, S
Citation: Abj. Parusel et S. Grimme, DFT/MRCI calculations on the excited states of porphyrin, hydroporphyrins,tetrazaporphyrins and metalloporphyrins, J PORPHYR P, 5(3), 2001, pp. 225-232
The photophysics of pyranthione: a theoretical investigation focussing on spin-forbidden transitions
Authors: Tatchen, J Waletzke, M Marian, CM Grimme, S
Citation: J. Tatchen et al., The photophysics of pyranthione: a theoretical investigation focussing on spin-forbidden transitions, CHEM PHYS, 264(3), 2001, pp. 245-254
Spiro[4.4] nonatetraene and its positive and negative radical ions: Molectronic structure investigations
Authors: Haselbach, E Allan, M Bally, T Bednarek, P Sergenton, AC de Meijere, A Kozhushkov, S Piacenza, M Grimme, S
Citation: E. Haselbach et al., Spiro[4.4] nonatetraene and its positive and negative radical ions: Molectronic structure investigations, HELV CHIM A, 84(6), 2001, pp. 1670-1693
Calculation of frequency dependent optical rotation using density functional response theory
Authors: Grimme, S
Citation: S. Grimme, Calculation of frequency dependent optical rotation using density functional response theory, CHEM P LETT, 339(5-6), 2001, pp. 380-388
On the importance of third- and fourth-order corrections in multi-reference Moller-Plesset theory
Authors: Grimme, S Parac, M Waletzke, M
Citation: S. Grimme et al., On the importance of third- and fourth-order corrections in multi-reference Moller-Plesset theory, CHEM P LETT, 334(1-3), 2001, pp. 99-106
A theoretical study of the excited states of chlorophyll a and pheophytin a
Authors: Parusel, ABJ Grimme, S
Citation: Abj. Parusel et S. Grimme, A theoretical study of the excited states of chlorophyll a and pheophytin a, J PHYS CH B, 104(22), 2000, pp. 5395-5398
Multi-reference Moller-Plesset theory: computational strategies for large molecules
Authors: Grimme, S Waletzke, M
Citation: S. Grimme et M. Waletzke, Multi-reference Moller-Plesset theory: computational strategies for large molecules, PHYS CHEM P, 2(10), 2000, pp. 2075-2081
Redox switches with chiroptical signal expression based on binaphthyl boron dipyrromethene conjugates
Authors: Beer, G Niederalt, C Grimme, S Daub, J
Citation: G. Beer et al., Redox switches with chiroptical signal expression based on binaphthyl boron dipyrromethene conjugates, ANGEW CHEM, 39(18), 2000, pp. 3252
A theoretical study of the radiationless decay mechanism of cyclic alkenesin the lowest triplet state
Authors: Woeller, M Grimme, S Peyerimhoff, SD Danovich, D Filatov, M Shaik, S
Citation: M. Woeller et al., A theoretical study of the radiationless decay mechanism of cyclic alkenesin the lowest triplet state, J PHYS CH A, 104(22), 2000, pp. 5366-5373
Endocytosis of insulin-like growth factor II by a mini-receptor based on repeat 11 of the mannose 6-phosphate/insulin-like growth factor II receptor
Authors: Grimme, S Honing, S von Figura, K Schmidt, B
Citation: S. Grimme et al., Endocytosis of insulin-like growth factor II by a mini-receptor based on repeat 11 of the mannose 6-phosphate/insulin-like growth factor II receptor, J BIOL CHEM, 275(43), 2000, pp. 33697-33703
Comment on "Assessment of exchange correlation functionals" [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160-166]
Authors: Ahlrichs, R Furche, F Grimme, S
Citation: R. Ahlrichs et al., Comment on "Assessment of exchange correlation functionals" [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160-166], CHEM P LETT, 325(1-3), 2000, pp. 317-321
Computational prediction of the ISC rate for triplet norbornene
Authors: Harvey, JN Grimme, S Woeller, M Peyerimhoff, SD Danovich, D Shaik, S
Citation: Jn. Harvey et al., Computational prediction of the ISC rate for triplet norbornene, CHEM P LETT, 322(5), 2000, pp. 358-362
Locked alkenes with a short triplet state lifetime
Authors: Filatov, M Shaik, S Woeller, M Grimme, S Peyerimhoff, SD
Citation: M. Filatov et al., Locked alkenes with a short triplet state lifetime, CHEM P LETT, 316(1-2), 2000, pp. 135-140
Characterization of cobalt(II)-substituted peptide deformylase: Function of the metal ion and the catalytic residue Glu-133
Authors: Rajagopalan, PTR Grimme, S Pei, DH
Citation: Ptr. Rajagopalan et al., Characterization of cobalt(II)-substituted peptide deformylase: Function of the metal ion and the catalytic residue Glu-133, BIOCHEM, 39(4), 2000, pp. 779-790
Circular dichroism of helicenes investigated by time-dependent density functional theory
Authors: Furche, F Ahlrichs, R Wachsmann, C Weber, E Sobanski, A Vogtle, F Grimme, S
Citation: F. Furche et al., Circular dichroism of helicenes investigated by time-dependent density functional theory, J AM CHEM S, 122(8), 2000, pp. 1717-1724
Coumarin 153 in the gas phase: optical spectra and quantum chemical calculations
Authors: Muhlpfordt, A Schanz, R Ernsting, NP Farztdinov, V Grimme, S
Citation: A. Muhlpfordt et al., Coumarin 153 in the gas phase: optical spectra and quantum chemical calculations, PCCP PHYS C, 1(14), 1999, pp. 3209-3218
Calorimetric and quantum chemical studies of some photodimers of anthracenes
Authors: Grimme, S Peyerimhoff, SD Bouas-Laurent, H Desvergne, JP Becker, HD Sarge, SM Dreeskamp, H
Citation: S. Grimme et al., Calorimetric and quantum chemical studies of some photodimers of anthracenes, PCCP PHYS C, 1(10), 1999, pp. 2457-2462
The addition patterns of C-60 trisadducts involving the positional relationships e and trans-n (n=2-4): Isolation, properties, and determination of the absolute configuration of tris(malonates) and tris[bis(oxazolines)]
Authors: Djojo, F Hirsch, A Grimme, S
Citation: F. Djojo et al., The addition patterns of C-60 trisadducts involving the positional relationships e and trans-n (n=2-4): Isolation, properties, and determination of the absolute configuration of tris(malonates) and tris[bis(oxazolines)], EUR J ORG C, (11), 1999, pp. 3027-3039
Electron energy loss and DFT/SCI study of the singlet and triplet excited states of aminobenzonitriles and benzoquinuclidines: Role of the amino group twist angle
Authors: Bulliard, C Allan, M Wirtz, G Haselbach, E Zachariasse, KA Detzer, N Grimme, S
Citation: C. Bulliard et al., Electron energy loss and DFT/SCI study of the singlet and triplet excited states of aminobenzonitriles and benzoquinuclidines: Role of the amino group twist angle, J PHYS CH A, 103(39), 1999, pp. 7766-7772
Synthesis of enantiomerically pure (E)-1,1,3,3,6,6-hexamethyl-1-sila-4-cycloheptene and its absolute configuration
Authors: Krebs, AW Tholke, B Pforr, KI Konig, WA Scharwachter, K Grimme, S Vogtle, F Sobanski, A Schramm, J Hormes, J
Citation: Aw. Krebs et al., Synthesis of enantiomerically pure (E)-1,1,3,3,6,6-hexamethyl-1-sila-4-cycloheptene and its absolute configuration, TETRAHEDR-A, 10(18), 1999, pp. 3483-3492
Chiroptical properties of 12,15-dichloro[3.0]orthometacyclophane - correlations between molecular structure and circular dichroism spectra of a biphenylophane
Authors: Niederalt, C Grimme, S Peyerimhoff, SD Sobanski, A Vogtle, F Lutz, M Spek, AL van Eis, MJ de Wolf, WH Bickelhaupt, F
Citation: C. Niederalt et al., Chiroptical properties of 12,15-dichloro[3.0]orthometacyclophane - correlations between molecular structure and circular dichroism spectra of a biphenylophane, TETRAHEDR-A, 10(11), 1999, pp. 2153-2164
Experimental and theoretical studies of a chiral azulenophane: synthesis, structure and circular dichroism spectra of 14,17-dimethyl[2](1,3)azuleno[2]paracyclophane
Authors: Grimme, S Mennicke, W Vogtle, F Nieger, M
Citation: S. Grimme et al., Experimental and theoretical studies of a chiral azulenophane: synthesis, structure and circular dichroism spectra of 14,17-dimethyl[2](1,3)azuleno[2]paracyclophane, J CHEM S P2, (3), 1999, pp. 521-527
Risultati: 1-25 | 26-27