Structure Determination of Methyl Nicotinate and Methyl Picolinate by Gas Electron Diffraction Combined with ab Initio Calculations

1998 ◽  
Vol 102 (8) ◽  
pp. 1405-1411 ◽  
Author(s):  
Hajime Kiyono ◽  
Ryosuke Tatsunami ◽  
Teruyo Kurai ◽  
Hiroshi Takeuchi ◽  
Toru Egawa ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structure Determination ◽  
Gas Electron Diffraction ◽  
Methyl Nicotinate

A nonparametric determination of the internal rotation potential and the molecular geometry of o-chloroanisole using gas electron diffraction and data from spectroscopy and ab initio calculations

1996 ◽  
Vol 376 (1-3) ◽  
pp. 173-181 ◽  
Author(s):  
Mikhail V. Popik ◽  
Vladimir P. Novikov ◽  
Lev V. Vilkov ◽  
Svein Samdal ◽  
Maxim A. Tafipolsky
Keyword(s):  
Electron Diffraction ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Internal Rotation ◽  
Molecular Geometry ◽  
Gas Electron Diffraction

Structural and conformational analysis of N-chloro-N-ethylethanamine by gas electron diffraction, ab initio calculations and vibrational spectroscopy

1993 ◽  
Vol 291 (1) ◽  
pp. 11-22 ◽  
Author(s):  
Nobuhiko Kuze ◽  
Hiroshi Takeuchi ◽  
Toru Egawa ◽  
Shigehiro Konaka ◽  
Susan Q. Newton ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Conformational Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational Spectroscopy ◽  
Gas Electron Diffraction

scholarly journals Crystal structure determination of nanolaminated Ti5Al2C3 by combined techniques of XRPD, TEM and ab initio calculations

2012 ◽  
Vol 1 (4) ◽  
pp. 268-273 ◽  
Author(s):  
Hui Zhang ◽  
Xiaohui Wang ◽  
Yonghui Ma ◽  
Luchao Sun ◽  
Liya Zheng ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structure Determination ◽  
Crystal Structure Determination
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