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Keywords = DFT study
Number of Articles: 4
Investigation on the effect of trifluoromethyl group on the [3+2] cycloadditions of thiocarbonyl S-methanides with α, β-unsaturated ketones: A theoretical study using DFT

Volume 17, Issue 1 (Spring and Summer 2020) 1 and 2, August 2020, Pages 29-38

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  • PDF 498.87 K

DFT study of the intermolecular interaction of 3,4-dinitropyrazole (DNP) and H2O

Volume 14, Issue 3, October 2017, Pages 229-236

Morteza Rouhani

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  • PDF 672.34 K

DFT Study and Comparison between B6C4Si and C16 Clusters as a Vitamin C Carrier

Volume 9, Issue 2, August 2012, Pages 103-116

T. Ardalan; M. Monajjemi; H. Aghaie; P. Ardalan

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  • PDF 681.35 K

Classical DFT Study on Atomic Electronegativity

Volume 8, Issue 1, May 2011, Pages 61-66

Mohammad Hossien Ghorbani; Reza Fazaeli; Arash Ghoorehian

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  • PDF 109.75 K

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