22 results on '"Fattahi, Alireza"'
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2. Reactions of doubly deprotonated 2,6-naphthalenedicarboxylic acid with alcohols: Proton transfer versus solvation
3. Styrene energetics and characterization of its conjugate base: An example of isotopic labeling gone awry
4. Reprint of “Indenone and cyclopentadienone energetics via mass spectrometry and computations: Are these species antiaromatic or “merely” nonaromatic?”
5. Indenone and cyclopentadienone energetics via mass spectrometry and computations: Are these species antiaromatic or “merely” nonaromatic?
6. Theoretical descriptors response to the calculations of the relative pKa values of some boronic acids in aqueous solution: A DFT study
7. Structures, stabilities & conformational behaviors of hydrogen-atom abstractions of cytosine nucleosides: AIM & NBO analysis
8. Conformational behavior and potential energy profile of gaseous histidine
9. Using solution equilibria to determine average molecular weight of the Suwannee River fulvic acids
10. DFT investigations for “Fischer” esterification mechanism over silica-propyl-SO3H catalyst: Is the reaction reversible?
11. Influence of a β-OH substituent on SN2 reactions of fluoroethane: Intramolecular hydrogen bonding catalysis or inhibition? A theoretical study.
12. The intramolecular cation–π interaction of some aryl amines and its drastic influence on the basicity of them: AIM and NBO analysis.
13. Excellent response of the DFT study to the calculations of accurate relative pK a value of different benzo-substituted quinuclidines.
14. Investigation of the scavenging mechanism of tyrosyl radical by hydroxybenzohydroxamic acid derivatives: A DFT study.
15. Theoretical descriptors response to the calculations of the relative pK a values of some boronic acids in aqueous solution: A DFT study.
16. Anion interactions of cytosine nucleobase and its nucleosides: Detailed view from DFT study
17. Interaction of Mg2+, Ca2+, Zn2+ and Cu+ with cytosine nucleosides: Influence of metal on sugar puckering and stability of N-Glycosidic bond, a DFT study
18. DFT study of the interaction of cytidine and 2′-deoxycytidine with Li+, Na+, and K+: effects of metal cationization on sugar puckering and stability of the N-glycosidic bond
19. Comparison of thermochemistry of aspartame (artificial sweetener) and glucose
20. Hydrogen bonding effects on acidity enhancement of barbiturates and their metabolites in gas and solution phase, a DFT study.
21. Comparison of acidity and metal ion affinity of D-Glucosamine and N-acetyl-D-glucosamine, a DFT study.
22. Structural and electronic properties of alkyl-trifluoroborate based ionic liquids: A theoretical study.
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