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

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 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).

Ab initio Study of Structural and Conformational Properties of Five- to Nine-Membered Cyclic 1,2,3-Trienes

2002 ◽  
Vol 134 (1) ◽  
pp. 23-35
Author(s):  
Issa Yavari ◽  
Hassan Kabiri-Fard ◽  
Shahram Moradi ◽  
Behrooz Adib ◽  
Mitra Matlobi
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Conformational Properties

scholarly journals A Microwave and Ab Initio Study of the Conformational Properties and Intramolecular Hydrogen Bonding of Cyclopropanemethanethiol.

1991 ◽  
Vol 45 ◽  
pp. 354-360 ◽  
Author(s):  
K.-M. Marstokk ◽  
Harald Møllendal ◽  
Torbjörn Norin ◽  
Ingeborg Csöregh ◽  
Anne Ertan ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Intramolecular Hydrogen Bonding ◽  
Ab Initio Study ◽  
Conformational Properties ◽  
Intramolecular Hydrogen
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