Conformational Analysis of Tetracycline using Molecular Mechanical and Semiempirical MO-Calculations

1999 ◽  
Vol 5 (3) ◽  
pp. 46-62 ◽  
Author(s):  
Harald Lanig ◽  
Maik Gottschalk ◽  
Siegfried Schneider ◽  
Timothy Clark
Keyword(s):  
Conformational Analysis ◽  
Mo Calculations ◽  
Semiempirical Mo Calculations

Silicon-Bridged Metacyclophanes as Parent Compounds of Silacalix[n]arenes. Synthesis, Structures, and Conformational Analysis by Semiempirical MO Calculations

1999 ◽  
Vol 18 (8) ◽  
pp. 1465-1470 ◽  
Author(s):  
Masaru Yoshida ◽  
Midori Goto ◽  
Fusae Nakanishi
Keyword(s):  
Conformational Analysis ◽  
Mo Calculations ◽  
Semiempirical Mo Calculations

Conformational Analysis of Methyl Phenylcarbamate and its Methoxy Derivatives by MO Calculations

1983 ◽  
Vol 316 (1) ◽  
pp. 9-15 ◽  
Author(s):  
Milan Remko ◽  
Vladimír Frecer ◽  
Jozef Čižmárik
Keyword(s):  
Conformational Analysis ◽  
Mo Calculations

NMR spectra, MO calculations of spin-spin coupling constants and conformational analysis of substituted 1,3-dioxolanes

1980 ◽  
Vol 13 (1) ◽  
pp. 17-25 ◽  
Author(s):  
Rois Benassi ◽  
Luisa Schenetti ◽  
Ferdinando Taddei ◽  
Luigi Villa ◽  
Vincenzo Ferri
Keyword(s):  
Conformational Analysis ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Mo Calculations ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

and semiempirical MO calculations of intermolecular effective exchange integrals between organic radicals. Designing of organic ferromagnet, ferrimagnet and ferromagnetic conductors

1987 ◽  
Vol 19 (1-3) ◽  
pp. 87-92 ◽  
Author(s):  
Kizashi Yamaguchi ◽  
Yasuyuki Toyoda ◽  
Masayoshi Nakano ◽  
Takayuki Fueno
Keyword(s):  
Organic Radicals ◽  
Mo Calculations ◽  
Semiempirical Mo Calculations ◽  
Effective Exchange

ChemInform Abstract: Gas-Phase Hydrolysis of Protonated Oxirane. Ab initio and Semiempirical MO Calculations.

ChemInform ◽  
1987 ◽  
Vol 18 (28) ◽  
Author(s):  
G. P. FORD ◽  
C. T. SMITH
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Mo Calculations ◽  
Semiempirical Mo Calculations ◽  
Hydrolysis Of

Molecular Structure of Heterocycles: 4# NMR Spectroscopy, X-Ray Diffraction, and Semiempirical Mo Calculations of 3-Phenyl-5-Hydroxy- 5-Trichloromethyl-4,5-Dihydro-FH-Pyrazole-1-Carboxyamide

1999 ◽  
Vol 32 (5) ◽  
pp. 851-865 ◽  
Author(s):  
Helio Bonacorso ◽  
Marcos Martins ◽  
Nilo Zanatta ◽  
Marli Oliveira ◽  
Alexandre Wentz ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
X Ray Diffraction ◽  
Mo Calculations ◽  
X Ray ◽  
Semiempirical Mo Calculations
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