Ab initio study and NBO analysis of configurational and conformational properties of cyclododeca-1,2,7,8-tetraene

2007 ◽  
Vol 808 (1-3) ◽  
pp. 135-144 ◽  
Author(s):  
Davood Nori-Shargh ◽  
Fatemeh-Rozita Ghanizadeh ◽  
Maryam Malek Hosseini ◽  
Farzad Deyhimi
Keyword(s):  
Ab Initio ◽  
Nbo Analysis ◽  
Ab Initio Study ◽  
Conformational Properties

An Ab Initio Study and NBO Analysis of the Stability and Conformational Properties of Hexakis(trimethylelementhyl)benzene (Element = C, Si, Ge, and Sn)

2006 ◽  
Vol 181 (10) ◽  
pp. 2419-2434 ◽  
Author(s):  
Davood Nori-Shargh ◽  
Daryoush Tahmassebi ◽  
Mahboobeh Poukalhor ◽  
Mostafa Mohammadpour Amini ◽  
Saeed Jameh-Bozorghi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Nbo Analysis ◽  
Ab Initio Study ◽  
Conformational Properties ◽  
The Stability

scholarly journals Ab initio study of conformational properties of (Z,E,Z)-cyclonona-1,3,5-triene

2001 ◽  
Vol 2001 (6) ◽  
pp. 229-231
Author(s):  
Issa Yavari ◽  
Behrooz Adib ◽  
K. Zare
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Conformational Properties

Ab initio study of conformational properties of (Z,Z,Z)-cyclonona-1,3,5-triene

2001 ◽  
Vol 571 (1-3) ◽  
pp. 39-44 ◽  
Author(s):  
Issa Yavari ◽  
Behrooz Adib ◽  
Ali Reza Zainalizadeh
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Conformational Properties

Ab initio study of the conformational properties of (Z,Z)-cyclodeca-1,6-diene and its heterocyclic analogue containing oxygen

2005 ◽  
Vol 716 (1-3) ◽  
pp. 211-215
Author(s):  
Davood Nori-Shargh ◽  
Mostafa Mohamadpour Amini ◽  
Farzad Deyhimi ◽  
Saeed Jameh-Bozorghi ◽  
Samira Aminzadeh
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Conformational Properties

Ab initio study of conformational properties of cycloocta-1,5-diyne, cyclonona-1,5-diyne and cyclodeca-1,6-diyne

2001 ◽  
Vol 574 (1-3) ◽  
pp. 1-7 ◽  
Author(s):  
I. Yavari ◽  
A. Jabbari ◽  
D. Tahmassebi ◽  
M.R. Hosseini-Tabatabaei
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Conformational Properties

Ab initio Study of Configurational and Conformational Properties of Cyclodeca-1,2,4,6,7,9-Hexaene and Cyclodeca-1,2,4,6,8,9-Hexaene†

2003 ◽  
Vol 2003 (7) ◽  
pp. 384-385 ◽  
Author(s):  
Davood Nori-Shargh ◽  
Nasrin Sarogh-Farahani ◽  
Saeed Jameh-Bozorghi ◽  
Farzad Deyhimi ◽  
Mohammad-Reza Talei Bavil Olyai ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Density Functional ◽  
Ab Initio Study ◽  
Functional Theory ◽  
Conformational Properties

Ab initio molecular orbital and density functional theory (DFT) calculations, used to calculate the structure optimisation and configurational features of cyclodeca-1,2,4,6,7,9-hexaene (1) and cyclodeca-1,2,4,6,8,9-hexaene (2), showed that the important structures in compound 1 are: RZRZ ( D2 symmetry), RZSZ ( C2h symmetry) and for compound 2 are: RSZZ ( C1 symmetry), RRZZ ( C2 symmetry).

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