Determination of the Structure and Chiroptical Properties of the Parent Nerve Gas O-Methyl Methylphosphonofluoridate by ab Initio Calculations, Electron Diffraction Analysis, and NMR Spectroscopy

Chiroptical Properties ◽

Nerve Gas

Structural changes as a function of torsional motion studied by ab initio calculations. Part 2. X2A-AX2 (A = N, P and X = H, F, Cl) and some implications for electron diffraction analysis

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(93)87053-g ◽

1993 ◽

Vol 288 (3) ◽

pp. 225-234 ◽

Cited By ~ 15

Author(s):

Vladimir S. Mastryukov ◽

James E. Boggs ◽

Svein Samdal

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Diffraction Analysis ◽

Ab Initio ◽

Structural Changes ◽

Torsional Motion ◽

Electron Diffraction Analysis

Molecular structure of 3,3-dimethyl-3-silatetrahydrofuran from gas-phase electron diffraction analysis and ab initio calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(94)08525-m ◽

1995 ◽

Vol 352-353 ◽

pp. 115-124 ◽

Cited By ~ 6

Author(s):

A.Yu. Gromov ◽

I.F. Shishkov ◽

A. Skancke ◽

L.V. Vilkov ◽

A.V. Yesipenko ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Diffraction Analysis ◽

Ab Initio ◽

Gas Phase ◽

Gas Phase Electron Diffraction

Determination of the c(2 × 2) structure formed on Cu(001) upon Li adsorption: a low-energy electron diffraction analysis

Surface Science ◽

10.1016/0039-6028(93)90317-d ◽

1993 ◽

Vol 293 (3) ◽

pp. 239-245 ◽

Cited By ~ 34

Author(s):

Seigi Mizuno ◽

Hiroshi Tochihara ◽

Takaaki Kawamura

Keyword(s):

Electron Diffraction ◽

Diffraction Analysis ◽

Low Energy ◽

Energy Electron ◽

Low Energy Electron ◽

Li Adsorption

Structure determination of Pb/Ge(111)-$\beta \text{-}(\sqrt{3}\times \sqrt{3})\mathrm{R}30^{\circ} $ by dynamical low-energy electron diffraction analysis and first-principles calculation

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/23/43/435001 ◽

2011 ◽

Vol 23 (43) ◽

pp. 435001 ◽

Cited By ~ 5

Author(s):

Yoshiyuki Ohtsubo ◽

Hiroshi Muto ◽

Koichiro Yaji ◽

Shinichiro Hatta ◽

Hiroshi Okuyama ◽

...

Keyword(s):

Electron Diffraction ◽

Diffraction Analysis ◽

Structure Determination ◽

First Principles ◽

Low Energy ◽

First Principles Calculation ◽

Low Energy Electron

Structural determination of the S-passivated InP(100)-(1×1) surface by dynamical low-energy electron-diffraction analysis

Physical Review B ◽

10.1103/physrevb.52.2959 ◽

1995 ◽

Vol 52 (4) ◽

pp. 2959-2963 ◽

Cited By ~ 23

Author(s):

O. L. Warren ◽

G. W. Anderson ◽

M. C. Hanf ◽

K. Griffiths ◽

P. R. Norton

Keyword(s):

Electron Diffraction ◽

Diffraction Analysis ◽

Low Energy ◽

Energy Electron ◽

Structural Determination ◽

Low Energy Electron

Determination of structures of molecules of lower halides of transition elements by gas electron-diffraction analysis. I. Titanium trichloride

Journal of Structural Chemistry ◽

10.1007/bf00745254 ◽

1988 ◽

Vol 28 (6) ◽

pp. 846-849

Author(s):

G. I. Mamaeva ◽

G. V. Romanov ◽

V. P. Spiridonov ◽

S. I. Troyanov

Keyword(s):

Electron Diffraction ◽

Diffraction Analysis ◽

Gas Electron Diffraction ◽

Transition Elements ◽

Titanium Trichloride

ChemInform Abstract: Determination of the Molecular Structure of Ethylphosphonothioic Dichloride by Gas-Phase Electron Diffraction and ab initio Calculations.

ChemInform ◽

10.1002/chin.199127048 ◽

2010 ◽

Vol 22 (27) ◽

pp. no-no

Author(s):

D. G. ANDERSON ◽

S. CRADOCK ◽

G. A. FORSYTH ◽

D. W. H. RANKIN ◽

J. F. SULLIVAN ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Gas Phase Electron Diffraction

ChemInform Abstract: STRUCTURE DETERMINATION OF GASEOUS NORBORNANE BY ELECTRON DIFFRACTION, MICROWAVE, RAMAN, AND INFRARED SPECTROSCOPY. MOLECULAR MECHANICS AND AB INITIO CALCULATIONS WITH COMPLETE GEOMETRY RELAXATION

Chemischer Informationsdienst ◽

10.1002/chin.198317065 ◽

1983 ◽

Vol 14 (17) ◽

Author(s):

L. DOMS ◽

L. VAN DEN ENDEN ◽

H. J. GEISE ◽

C. VAN ALSENOY

Keyword(s):

Infrared Spectroscopy ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Mechanics ◽

Structure Determination ◽

Raman And Infrared Spectroscopy ◽

Abstract Structure

ChemInform Abstract: The Determination of the Molecular Structure of 2-Fluoro-3,5-di-tert-butyl-1,3,2-oxazaphospholene by Means of Electron Diffraction and ab initio Calculations.

ChemInform ◽

10.1002/chin.199844030 ◽

2010 ◽

Vol 29 (44) ◽

pp. no-no

Author(s):

V. A. NAUMOV ◽

M. DAKKUORI ◽

R. N. ZIATDINOVA ◽

H. OBERHAMMER

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Tert Butyl

Structure determination of Bi/Ge(111)-(\sqrt {3}\times \sqrt {3})\mathrm {R}30^\circ by dynamical low-energy electron diffraction analysis and scanning tunneling microscopy

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/21/40/405001 ◽

2009 ◽

Vol 21 (40) ◽

pp. 405001 ◽

Cited By ~ 8

Author(s):

Yoshiyuki Ohtsubo ◽

Shinichiro Hatta ◽

Manabu Iwata ◽

Koichiro Yaji ◽

Hiroshi Okuyama ◽

...

Keyword(s):

Electron Diffraction ◽

Diffraction Analysis ◽

Structure Determination ◽

Low Energy ◽

Scanning Tunneling ◽

Tunneling Microscopy ◽

Low Energy Electron