Sage Journals: Discover world-class research

Retricted access

Research article

First published 2018-11

DFT calculation and NBO population analysis of the 2,4,6-Tri-Phenyl- λ 3 - Phosphinine dianion

Achour Sadi, Ourida Ouamerali

Journal of Computational Methods in Sciences and Engineering

Free access

Research article

First published 2011-5

Dft Study of Allylic Rearrangements (Cope Rearrangements) of Substituted Hexa-L,5-Dienes: Nbo and Nics Analysis

Hossein Aghaie, Ehsan Zahedi, Shima Mohammadkhani [...]

Progress in Reaction Kinetics and Mechanism

Free access

Research article

First published 2004-11

NBO-Analysis of Peri-dihydroxy-9,10-anthraquinones and their Deprotonated Forms

Grigoriy A. Sereda

Journal of Chemical Research

Free access

Research article

First published 2012-7

Ab Initio Study and Nbo Analysis of the Unimolecular Decomposition Kinetics of 2,2-Dimethyloxetane

Abolfazl Shiroudi, Ehsan Zahedi

Progress in Reaction Kinetics and Mechanism

Retricted access

Research article

First published 2016-5

NBO analysis of the torquoselectivity of the electrocyclic reactions of mono-substituted cyclobutenes

Amar Saal, Lynda Merzoud

Journal of Computational Methods in Sciences and Engineering

Retricted access

Research article

First published 2025-2

Hot corrosion behavior of Y 3 NbO 7 as thermal barrier coating material

Sachin Raj P. V., Kumaresh Babu S. P., Adarsh Vijayan P. V. [...]

Surface Engineering

Retricted access

Research article

First published 2021-7

Tunable ferroelectric properties in (K 0.5 Na 0.5 )NbO 3 ceramics fabricated by a simple modification of the conventional sintering technique

Jiacheng Li, Ying Hou, Tingting Ye [...]

Advances in Applied Ceramics: Structural,Functional and Bioceramics

Free access

Research article

First published 2012-2

Theoretical Study and Nbo Analysis of the Kinetics and Mechanism of the Gas Phase Elimination Reactions of 2-Chloroethylsilane and Derivatives

Abolfazl Shiroudi, Ehsan Zahedi

Progress in Reaction Kinetics and Mechanism

Free access

Research article

First published 2013-9

Isomerisation Reactions of α-Methyl Allyl [Acetate,Trifluoroacetate]: Theoretical Study

Abolfazl Shiroudi, Ehsan Zahedi

Progress in Reaction Kinetics and Mechanism

Retricted access

Research article

First published 2008-5

Theoretical study of the dihydrogen bonded HMH···HB≡NH and HMH···HN≡BH complexes (M=Be,Mg and Ca): properties and structures

Reza Ghiasi, Majid Monajjemi

Main Group Chemistry

Search results