Structures of norbornane and dodecahedrane by molecular mechanics calculations (MM3), x-ray crystallography, and electron diffraction

Journal of the American Chemical Society ◽

10.1021/ja00185a048 ◽

1989 ◽

Vol 111 (3) ◽

pp. 1106-1114 ◽

Author(s):

N. L. Allinger ◽

H. J. Geise ◽

W. Pyckhout ◽

L. A. Paquette ◽

J. C. Gallucci

Keyword(s):

Electron Diffraction ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography

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ChemInform Abstract: Structures of Norbornane and Dodecahedrane by Molecular Mechanics Calculations (MM3), X-Ray Crystallography, and Electron Diffraction

10.1002/chin.198920057 ◽

1989 ◽

Vol 20 (20) ◽

Author(s):

N. L. ALLINGER ◽

H. J. GEISE ◽

W. PYCKHOUT ◽

L. A. PAQUETTE ◽

J. C. GALLUCCI

Keyword(s):

Electron Diffraction ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography

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ChemInform Abstract: Conformational Study of N-Nitroso-2,6-diphenylpiperidines and N- Nitroso-2,6-diphenylpiperidin-4-ones by Molecular Mechanics Calculations, X-Ray Crystallography, and 1H and 13C NMR Spectroscopy.

10.1002/chin.199614042 ◽

2010 ◽

Vol 27 (14) ◽

pp. no-no

Author(s):

M. GDANIEC ◽

M. J. MILEWSKA ◽

T. POLONSKI

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

13C Nmr ◽

13C Nmr Spectroscopy ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

1H And 13C Nmr ◽

X Ray ◽

X Ray Crystallography

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ChemInform Abstract: Conformational Analysis of 14-Membered Macrolides Using X-Ray Crystallography and Molecular Mechanics Calculations.

10.1002/chin.198909053 ◽

1989 ◽

Vol 20 (9) ◽

Author(s):

T. H. KELLER ◽

E. G. NEELAND ◽

S. RETTIG ◽

J. TROTTER ◽

L. WEILER

Keyword(s):

Conformational Analysis ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography

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Synthesis of new N2S2 ligands and Re(V)O(N2S2) analogues of 99mTc renal imaging agents. Characterization by NMR spectroscopy, molecular mechanics calculations, and X-ray crystallography

Inorganica Chimica Acta ◽

10.1016/s0020-1693(02)00960-x ◽

2002 ◽

Vol 339 ◽

pp. 327-340 ◽

Author(s):

Malgorzata Lipowska ◽

Lory Hansen ◽

Renzo Cini ◽

Xiaolong Xu ◽

Hoon Choi ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

Imaging Agents ◽

Molecular Mechanics Calculations ◽

Renal Imaging ◽

X Ray ◽

X Ray Crystallography

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Chiral polyhydroxylated tetrahydrothiophene derivatives: novel synthesis and structural elucidation by X-ray crystallography, NMR spectroscopy and molecular mechanics calculations

Journal of the Chemical Society Perkin Transactions 1 ◽

10.1039/p19930001255 ◽

1993 ◽

pp. 1255 ◽

Author(s):

A. V. Rama Rao ◽

K. Ashok Reddy ◽

N. R. Srinivas ◽

M. K. Gurjar ◽

N. Padmaja ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

Structural Elucidation ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Novel Synthesis

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ChemInform Abstract: Chiral Polyhydroxylated Tetrahydrothiophene Derivatives: Novel Synthesis and Structural Elucidation by X-Ray Crystallography, NMR Spectroscopy and Molecular Mechanics Calculations.

10.1002/chin.199340182 ◽

2010 ◽

Vol 24 (40) ◽

pp. no-no

Author(s):

A. V. R. RAO ◽

K. A. REDDY ◽

N. R. SRINIVAS ◽

M. K. GURJAR ◽

N. PADMAJA ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

Structural Elucidation ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Novel Synthesis

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ChemInform Abstract: THE ACTION OF NITROGEN DIOXIDE AND NITRIC OXIDE ON HUMULENE, C15H24. ISOLATION AND CHARACTERIZATION BY X-RAY CRYSTALLOGRAPHY OF TWO DISTINCT CONFORMERS O HUMULENE NITROSITE. MOLECULAR MECHANICS CALCULATIONS FO 1,4,4,8,8,9-HEXAMETHYLCY

Chemischer Informationsdienst ◽

10.1002/chin.198348055 ◽

1983 ◽

Vol 14 (48) ◽

Author(s):

Z. F. KHAN ◽

D. K. MACALPINE ◽

A. L. PORTE ◽

G. A. SIM

Keyword(s):

Nitric Oxide ◽

Nitrogen Dioxide ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Isolation And Characterization

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Conformational Study of N-Nitroso-2,6-diphenylpiperidines and N-Nitroso-2,6-diphenylpiperidin-4-ones by Molecular Mechanics Calculations, X-ray Crystallography, and 1H and 13C NMR Spectroscopy

The Journal of Organic Chemistry ◽

10.1021/jo00128a011 ◽

1995 ◽

Vol 60 (23) ◽

pp. 7411-7418 ◽

Author(s):

Maria Gdaniec ◽

Maria J. Milewska ◽

Tadeusz Po-lonski

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

13C Nmr ◽

13C Nmr Spectroscopy ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

1H And 13C Nmr ◽

X Ray ◽

X Ray Crystallography

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Molecular structure of [4-(4-cyanobenzoyl) phenyl] 1,5-dithio-β-d-xylopyranoside (naroparcil) in the solid state and in solution: An investigation by X-ray crystallography, molecular mechanics calculations, and NMR spectroscopy

Carbohydrate Research ◽

10.1016/0008-6215(96)00013-4 ◽

1996 ◽

Vol 284 (1) ◽

pp. 35-49 ◽

Author(s):

Jean-Yves Le Questel ◽

Nadine Mouhous-Riou ◽

Serge Pérez

Keyword(s):

Molecular Structure ◽

Solid State ◽

Nmr Spectroscopy ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography

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The action of nitrogen dioxide and nitric oxide on humulene, C15H24. Isolation and characterization by X-ray crystallography of two distinct conformers of humulene nitrosite. Molecular mechanics calculations for 1,4,4,8,8,9-hexamethylcycloundeca-1,4-diene

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29830001259 ◽

1983 ◽

pp. 1259 ◽

Author(s):

Zia F. Khan ◽

Derek K. MacAlpine ◽

Andrew L. Porte ◽

George A. Sim

Keyword(s):

Nitric Oxide ◽

Nitrogen Dioxide ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Isolation And Characterization

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