The competition between the intramolecular hydrogen bond and π-electron delocalization in trifluoroacetylacetone-A theoretical study

International Journal of Quantum Chemistry ◽

10.1002/qua.22129 ◽

2010 ◽

Vol 111 (3) ◽

pp. 578-585 ◽

Author(s):

Alireza Nowroozi ◽

Hossain Roohi ◽

Mohammad Sadegh Sadeghi Ghoogheri ◽

Mohseneh Sheibaninia

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Intramolecular Hydrogen

Download Full-text

Competition between the intramolecular hydrogen bond and the π-electron delocalization in some RAHB systems: A theoretical study

Журнал структурной химии ◽

10.26902/jsc_id40420 ◽

2019 ◽

Vol 60 (5) ◽

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Intramolecular Hydrogen

Download Full-text

A comprehensive theoretical study of conformational analysis, intramolecular hydrogen bond, π-electron delocalization, and tautomeric preferences in 2-selenoformyl-3-thioxo-propionaldehyde

Structural Chemistry ◽

10.1007/s11224-018-1088-2 ◽

2018 ◽

Vol 29 (4) ◽

pp. 1057-1065 ◽

Author(s):

Ramin Rafat ◽

Alireza Nowroozi

Keyword(s):

Hydrogen Bond ◽

Conformational Analysis ◽

Intramolecular Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Intramolecular Hydrogen

Download Full-text

Competition Between the Intramolecular Hydrogen Bond and the π-Electron Delocalization in Some RAHB Systems: A Theoretical Study

Journal of Structural Chemistry ◽

10.1134/s002247661905007x ◽

2019 ◽

Vol 60 (5) ◽

pp. 755-762

Author(s):

R. Rafat ◽

A. Nowroozi

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Intramolecular Hydrogen

Download Full-text

A comprehensive theoretical study of mutual interactions between the intramolecular hydrogen bond and π-electron delocalization of RAHB units with the benzene rings in salicylaldehyde and ortho-aminobenzaldehyde with their thio and seleno analogues

Structural Chemistry ◽

10.1007/s11224-017-0921-3 ◽

2017 ◽

Vol 28 (4) ◽

pp. 1141-1149 ◽

Author(s):

Omid Rezvani Rad ◽

Alireza Nowroozi

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Theoretical Study ◽

Electron Delocalization ◽

Benzene Rings ◽

Intramolecular Hydrogen

Download Full-text

Solvent effects on the molecular stability, intramolecular hydrogen bond, and π-electron delocalization in the simple RAHB systems with different donors and acceptors: a quantum chemical study

Structural Chemistry ◽

10.1007/s11224-018-1221-2 ◽

2018 ◽

Vol 30 (3) ◽

pp. 777-785 ◽

Author(s):

Ramin Rafat ◽

Alireza Nowroozi

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Solvent Effects ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electron Delocalization ◽

Molecular Stability ◽

Intramolecular Hydrogen

Download Full-text

Theoretical study on the intramolecular hydrogen bond in chloro-substituted N,N-dimethylaminomethylphenols. I. Structural effects

Journal of Molecular Structure ◽

10.1016/j.molstruc.2003.12.003 ◽

2004 ◽

Vol 690 (1-3) ◽

pp. 165-174 ◽

Author(s):

A Koll ◽

V Parasuk ◽

W Parasuk ◽

A Karpfen ◽

P Wolschann

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Theoretical Study ◽

Structural Effects ◽

Intramolecular Hydrogen

Download Full-text

A theoretical study of the stereochemistry of the intramolecular hydrogen bond of salicylic acid

Journal of Molecular Structure ◽

10.1016/0022-2860(75)85123-4 ◽

1975 ◽

Vol 27 (1) ◽

pp. 59-65 ◽

Author(s):

Javier Catalán ◽

José Ignacio Fernández-Alonso

Keyword(s):

Hydrogen Bond ◽

Salicylic Acid ◽

Intramolecular Hydrogen Bond ◽

Theoretical Study ◽

Intramolecular Hydrogen

Download Full-text

A theoretical study on 2-hydroxypyrazine and 2,3-dihydroxypyrazine: tautomerism, intramolecular hydrogen bond, solvent effects

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(98)00270-x ◽

1999 ◽

Vol 459 (1-3) ◽

pp. 229-237 ◽

Author(s):

AhmedM El-Nahas ◽

Kimihiko Hirao

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Solvent Effects ◽

Theoretical Study ◽

Intramolecular Hydrogen

Download Full-text

How to estimate the intramolecular hydrogen-bond energy of complex RAHB systems? A theoretical study

Structural Chemistry ◽

10.1007/s11224-013-0253-x ◽

2013 ◽

Vol 25 (1) ◽

pp. 215-220 ◽

Author(s):

A. Nowroozi ◽

H. Hajiabadi

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Bond Energy ◽

Theoretical Study ◽

Hydrogen Bond Energy ◽

Intramolecular Hydrogen

Download Full-text

Exploring the correlation between the π-electron delocalization and intramolecular hydrogen bond in malonaldehyde derivatives; a quantum chemical study

Structural Chemistry ◽

10.1007/s11224-014-0421-7 ◽

2014 ◽

Vol 25 (5) ◽

pp. 1415-1422 ◽

Author(s):

Alireza Nowroozi ◽

Ebrahim Nakhaei ◽

Ehsan Masumian

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Electron Delocalization ◽

Intramolecular Hydrogen

Download Full-text