Partitioning of Higher Multipole Polarizabilities: Numerical Evaluation of Transferability by Geldof, D, Krishtal, A, Geerlings, P, Van Alsenoy, C

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Second-Order Moeller-Plesset Calculations of Total Ground-State Energies of Tetrahedral and Octahedral Molecules at Equilibrium, Confronted with Some Model-Dependent Scaling Proper... by Krishtal, A, Alsenoy, CVan, March, N H

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Spectroscopic investigations and molecular docking study of 3-(1H-imidazol-1-yl)-1-phenylpropan-1-one, a potential precursor to bioactive agents by Al-Alshaikh, Monirah A., Mary Y, Sheena, Panicker, C. Yohannan, Attia, Mohamed I., El-Emam, Ali A., Alsenoy, C. Van

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Towards an exact orbital-free single-particle kinetic energy density for the inhomogeneous electron liquid in the Be atom by Krishtal, A., March, N.H., Alsenoy, C. Van

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DFT and experimental (FT-IR and FT-Raman) investigation of vibrational spectroscopy and molecular docking studies of 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-N-(3,4,5-t... by El-Azab, Adel S., Sheena Mary, Y., Yohannan Panicker, C., Abdel-Aziz, Alaa A.-M., El-Sherbeny, Magda A., Van Alsenoy, C.

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Vibrational and structural observations and molecular docking study on 1-{3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}-ethanone by Parveen S, Shana, Al-Alshaikh, Monirah A., Panicker, C. Yohannan, El-Emam, Ali A., Narayana, B., Saliyan, Vinutha V., Sarojini, B.K., Van Alsenoy, C.

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Spectroscopic investigations and molecular docking study of (2E)-1-(4-Chlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one using quantum chemical calculations by Parveen, Shana, Al-Alshaikh, Monirah A., Panicker, C. Yohannan, El-Emam, Ali A., Salian, Vinutha V., Narayana, B., Sarojini, B.K., van Alsenoy, C.

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Spectroscopic analysis (FT-IR, FT-Raman and NMR) and molecular docking study of ethyl 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-acetate by El-Azab, Adel S., Jalaja, K., Abdel-Aziz, Alaa A.-M., Al-Obaid, Abdulrahman M., Sheena Mary, Y., Yohannan Panicker, C., Van Alsenoy, C.

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Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial and antimicrobial studies of 5-ethylsulphonyl-2-(p-aminophenyl)benzoxazole by Parveen S, Shana, Al-Alshaikh, Monirah A., Panicker, C. Yohannan, El-Emam, Ali A., Arisoy, Mustafa, Temiz-Arpaci, Ozlem, Van Alsenoy, C.

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