Publications

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2021
Elroby, S. A., S. G. Aziz, R. Hilal, I. K. Attah, S. P. Platt, and S. M. El-Shall, "Formation of the oxonium phenol ion in the stepwise hydration of the phenyl cation in the gas phase", Journal of Molecular Liquids, vol. 322, issue 15, pp. 114541, 2021.
Aziz, S. G., O. I. Osman, S. A. Elroby, and R. H. Hilal, Theoretical and Computational Investigations on Gas-Phase Thermal Tautomerization of Imidazole-Acetic Acid, , 2021.
2020
H.Hilal, R., B. H.Allehyani, O. Kühn, S. I.Bokarev, W. I.Hassan, and S. G. Aziz, "Solvation and speciation of cobalt(II). A theoretical X-ray absorption and RIXS study", Chemical Physics, vol. 532, pp. 110681, 2020.
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2013
Hilal, R. H., Conformational Preference and Mechanism of Decarboxylation of Levodopa. A Quantum Dynamics/ Quantum Mechanics Study, , 2013.
Hilal, R. H., Design of molecular switching and signaling based on proton transfer in 2-hydroxy Schiff bases: a computational study, , 2013.
Hilal, R. H., Electronic structure and decomposition reaction mechanism of cyclopropenone, phenylcylopropenone and their sulfur analogues: a theoretical study, , 2013.
Hilal, R. H., Hydration of the pyrimidine radical cation and stepwise solvation of protonated pyrimidine with water, methanol, and acetonitrile, , 2013.
Hilal, R. H., Structure and Cooperativity of the Hydrogen Bonds in Sodium Dihydrogen Triacetate, , 2013.
Hilal, R. H., Theoretical characterization of gas-phase thermolysis products of ethane-1,2-diol, 2-chloroethanol and 2-fluoroethanol, , 2013.
Hilal, R. H., Theoretical Investigation ofthe Dispersion Interaction in Argon Dimer and Trimer, , 2013.
Hilal, R. H., Theoretical Investigation ofthe Dispersion Interaction in Argon Dimer and Trimer, , 2013.
2008
Hilal, R. H., BSSE effects on the static dipole polarizability and first dipole hyperpolarizability of diclofenac sodium, , 2008.
Hilal, R. H., Effect of gamma irradiation on ethylene propylene diene terpolymer rubber composites, , 2008.
2006
Hilal, R. H., Electronic structure of orotic acid III geometric feature and thermal properties of some transition metal orotic acid complexes, , 2006.
2005
Hilal, R. H., DFT investigation of nitrenium ions derived from metabolism of antitumor 2-(4-aminophenyl) benzothiazoles, , 2005.
Hilal, R. H., Theoretical investigation of the proton affinities of benzazoles in the gas phase and in solution, , 2005.
2004
Hilal, R. H., Electronic structure of orotic acid I. Geometry, conformational preference and tautomerism, , 2004.
2002
Hilal, R. H., Electronic structure of some adenosine receptor antagonists. VQSAR investigation, , 2002.
Hilal, R. H., Equilibrium geometry and gas‐phase proton affinity of 2‐thiouracil derivatives, , 2002.
2001
Hilal, R. H., An ab initio study of the structures and energetics of the planar ground and 90°‐twisted excited states of substituted ethylenes, , 2001.
1997
Hilal, R. H., Vibrational analysis of the spectra of furan and thiophene, , 1997.
1995
Hilal, R. H., A theoretical and experimental investigation of the electronic spectra and tautomerization of nucleobases, , 1995.
1985
Hilal, R. H., A comparative quantum chemical study of methyl acetate and< i> S-methyl thioacetate Toward an understanding of the biochemical reactivity of esters of coenzyme A, , 1985.
1984
Hilal, R. H., Electronic structure of the peptide linkage. I. Equilibrium geometry and electronic properties of formhydroxamic acid, , 1984.
1981
Hilal, R. H., Molecular orbital treatment of phenylfurans and bifurans, , 1981.
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