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Results: 1-25/46
Authors:
BARTEL C
BOTSCHWINA P
BURGER H
GUARNIERI A
HEYL A
HUCKAUF A
LENTZ D
MERZLIAK T
MKADMI EB
Citation: C. Bartel et al., CYANOISOCYANOACETYLENE, N-C-C-C-N-C, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 37(20), 1998, pp. 2879-2882
Authors:
BOTSCHWINA P
Citation: P. Botschwina, THE SADDLE-POINT OF THE NUCLEOPHILIC-SUBSTITUTION REACTION CL-- RESULTS OF LARGE-SCALE COUPLED-CLUSTER CALCULATIONS(CH3CL ), Theoretical Chemistry accounts ( Theoretical Chemistry accounts (Print)), 99(6), 1998, pp. 426-428
Authors:
DYCZMONS V
HORN M
BOTSCHWINA P
MELLER A
Citation: V. Dyczmons et al., EQUILIBRIUM STRUCTURES AND CHEMICAL-SHIFTS OF CLOSO-1,5-C2B3H5,C2B3H3X2 AND C2B3X3H2 WITH X = LI, F, CL AND NH2, Journal of molecular structure. Theochem, 431(1-2), 1998, pp. 137-149
Authors:
BOTSCHWINA P
HEYL A
CHEN W
MCCARTHY MC
GRABOW JU
TRAVERS MJ
THADDEUS P
Citation: P. Botschwina et al., THE ISOCYANOPOLYYNES HC4NC AND HC6NC - MICROWAVE-SPECTRA AND AB-INITIO CALCULATIONS, The Journal of chemical physics, 109(8), 1998, pp. 3108-3115
Authors:
AHMAD IK
OZEKI H
SAITO S
BOTSCHWINA P
Citation: Ik. Ahmad et al., A NEW PHOSPHORUS BEARING DERIVATIVE OF THE METHYL RADICAL, CH2CP, STUDIED BY MICROWAVE SPECTROSCOPY AND AB-INITIO CALCULATION, The Journal of chemical physics, 109(11), 1998, pp. 4252-4257
Authors:
BOTSCHWINA P
HEYL A
OSWALD M
HIRANO T
Citation: P. Botschwina et al., AB-INITIO ANHARMONIC-FORCE FIELDS AND SPECTROSCOPIC PROPERTIES FOR HC5N AND HC5NH+, MOLECULES OF INTEREST TO ASTROCHEMISTRY, SPECT ACT A, 53(8), 1997, pp. 1079-1090
Authors:
BOTSCHWINA P
SCHMATZ S
Citation: P. Botschwina et S. Schmatz, COUPLED-CLUSTER CALCULATIONS FOR 3 LOW-LYING DOUBLET STATES OF LINEARC-10(-), Chemical physics, 225(1-3), 1997, pp. 131-138
Authors:
BOTSCHWINA P
HORN M
MATUSCHEWSKI M
SCHICK E
SEBALD P
Citation: P. Botschwina et al., HYDROGEN-CYANIDE - THEORY AND EXPERIMENT, Journal of molecular structure. Theochem, 400, 1997, pp. 119-137
Authors:
BOTSCHWINA P
HORN M
MARKEY K
OSWALD R
Citation: P. Botschwina et al., COUPLED-CLUSTER CALCULATIONS FOR HC7N, HC7NH+ AND C7N, MOLECULES OF INTEREST TO ASTROCHEMISTRY, Molecular physics, 92(3), 1997, pp. 381-392
Authors:
BOTSCHWINA P
Citation: P. Botschwina, AN ACCURATE EQUILIBRIUM GEOMETRY FOR LINEAR C-4 (X-3-SIGMA(-)(G)), Journal of molecular spectroscopy, 186(1), 1997, pp. 203-204
Authors:
BOTSCHWINA P
HORN M
Citation: P. Botschwina et M. Horn, ACCURATE EQUILIBRIUM STRUCTURE AND ELECTRIC-DIPOLE MOMENT OF HC9N - PREDICTIONS ON THE BASIS OF LARGE-SCALE COUPLED-CLUSTER CALCULATIONS, Journal of molecular spectroscopy, 185(1), 1997, pp. 191-193
Authors:
BOTSCHWINA P
HORN M
Citation: P. Botschwina et M. Horn, ACCURATE VIBRATIONAL FREQUENCIES AND THE BARRIER HEIGHT FOR HYDROGEN-TRANSFER IN HOO-, Journal of molecular spectroscopy, 181(2), 1997, pp. 452-454
Authors:
HEYL A
BOTSCHWINA P
HIRANO T
Citation: A. Heyl et al., COUPLED-CLUSTER CALCULATIONS FOR HC9NH+, A CATION OF INTEREST TO ASTROCHEMISTRY, The Journal of chemical physics, 107(22), 1997, pp. 9702-9703
Authors:
BOTSCHWINA P
HORN M
SEEGER S
OSWALD R
Citation: P. Botschwina et al., STATIONARY-POINTS OF THE POTENTIAL SURFACE FOR THE REACTION F--]FCH3+CL- - RESULTS OF LARGE-SCALE COUPLED-CLUSTER CALCULATIONS(CH3CL), Berichte der Bunsengesellschaft fur Physikalische Chemie, 101(3), 1997, pp. 387-390
Authors:
HORN M
SEEGER S
OSWALD R
BOTSCHWINA P
Citation: M. Horn et al., CALCULATED VIBRATIONAL STRUCTURE OF THE FIRST BAND OF THE PHOTOELECTRON-SPECTRUM OF HO2- AND THE ELECTRON-AFFINITY OF HO2, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 36(3-4), 1996, pp. 293-299
Authors:
SCHULZ B
BOTSCHWINA P
Citation: B. Schulz et P. Botschwina, AB-INITIO CALCULATIONS FOR PROPYNE AND THE HYDROGEN-BONDED COMPLEX NH3-CENTER-DOT-CENTER-DOT-CENTER-DOT-H-C-C-CH3, Molecular physics, 89(5), 1996, pp. 1553-1565
Authors:
BOTSCHWINA P
Citation: P. Botschwina, ON THE OUT-OF-PLANE BENDING POTENTIALS OF H2CCCC AND H2CCC, Journal of molecular spectroscopy, 179(2), 1996, pp. 343-344
Authors:
BOTSCHWINA P
Citation: P. Botschwina, THE 2 LOWEST ELECTRONIC STATES OF C5N - RESULTS OF COUPLED-CLUSTER CALCULATIONS, Chemical physics letters, 259(5-6), 1996, pp. 627-634
Authors:
BOTSCHWINA P
OSWALD R
FLUGGE J
HORN M
Citation: P. Botschwina et al., A THEORETICAL INVESTIGATION OF THE PROPARGYL RADICAL AND ITS CATION, Zeitschrift für physikalische Chemie, 188, 1995, pp. 29-43
Authors:
BOTSCHWINA P
SCHULZ B
HORN M
MATUSCHEWSKI M
Citation: P. Botschwina et al., AB-INITIO CALCULATIONS OF STRETCHING VIBRATIONAL TRANSITIONS FOR THE LINEAR-MOLECULES HCN, HNC, HCCF AND HC3N UP TO HIGH OVERTONES, Chemical physics, 190(2-3), 1995, pp. 345-362
Authors:
SCHMATZ S
BOTSCHWINA P
Citation: S. Schmatz et P. Botschwina, LARGE-SCALE COUPLED-CLUSTER CALCULATIONS FOR THE LINEAR CARBON ANIONSC-3(-),C-4(-),C-7(-) AND C-10(-), International journal of mass spectrometry and ion processes, 150, 1995, pp. 621-629
Authors:
BOTSCHWINA P
SEEGER S
MLADENOVIC M
SCHULZ B
HORN M
SCHMATZ S
FLUGGE J
OSWALD R
Citation: P. Botschwina et al., QUANTUM-CHEMICAL INVESTIGATIONS OF SMALL MOLECULAR ANIONS, International reviews in physical chemistry, 14(2), 1995, pp. 169-204
Authors:
BOTSCHWINA P
FLUGGE J
SEBALD P
Citation: P. Botschwina et al., A THEORETICAL INVESTIGATION OF C5O, Journal of physical chemistry, 99(24), 1995, pp. 9755-9761
Authors:
OSWALD M
BOTSCHWINA P
Citation: M. Oswald et P. Botschwina, THE EQUILIBRIUM GEOMETRY AND SOME SPECTROSCOPIC CONSTANTS OF H2C4, A MOLECULE OF INTEREST TO ASTROCHEMISTRY, Journal of molecular spectroscopy, 169(1), 1995, pp. 181-184
Authors:
MCCARTHY MC
GOTTLIEB CA
THADDEUS P
HORN M
BOTSCHWINA P
Citation: Mc. Mccarthy et al., STRUCTURE OF THE CCCN AND CCCCH RADICALS - ISOTOPIC-SUBSTITUTION AND AB-INITIO THEORY, The Journal of chemical physics, 103(18), 1995, pp. 7820-7827