Trivinylphosphine Oxide: Synthesis, Characterization, and Polymerization Reactivity Investigated Using Single-Crystal Analysis and Density Functional Theory von Salmeia, Khalifah A., Afaneh, Akef T., Habash, Reem R., Neels, Antonia

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Assessment of time-dependent density functionals for the electronic excitation energies of organic dyes used in DSSCs von Alkhatib, Qabas, Helal, Wissam, Afaneh, Akef T

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Fluorescence Enhancement/Quenching Based on Metal Orbital Control: Computational Studies of a 6‑Thienyllumazine-Based Mercury Sensor von Afaneh, Akef T, Schreckenbach, Georg

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Tuning the photophysical properties of BODIPY dyes used in DSSCs as predicted by double‐hybrid TD‐DFT: The role of the methyl substituents von Helal, Wissam, Marashdeh, Ali, Alkhatib, Qabas, Qashmar, Hana, Gharaibeh, Mohammed, Afaneh, Akef T.

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Thiacrown Ethers Engaged C60 through Charge Transfer: Experimental and Theoretical Study von Al Khalyfeh, Khaled, Afaneh, Akef T, Marashdeh, Ali, Almatarneh, Mansour H, Al-Mazaideh, Ghassab M, Mizyed, Shehadeh, Ashram, Muhammad

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Environmental Mercury Chemistry – In Silico von Asaduzzaman, Abu, Riccardi, Demian, Afaneh, Akef T, Cooper, Sarah J, Smith, Jeremy C, Wang, Feiyue, Parks, Jerry M, Schreckenbach, Georg

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Theoretical Study of the Formation of Mercury (Hg2+) Complexes in Solution Using an Explicit Solvation Shell in Implicit Solvent Calculations von Afaneh, Akef T, Schreckenbach, Georg, Wang, Feiyue

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Computational study of the unimolecular and bimolecular decomposition mechanisms of propylamine von Almatarneh, Mansour H., Al Omari, Rima, Omeir, Reema A., Al Khawaldeh, Ahmad, Afaneh, Akef T., Sinnokrot, Mutasem, Al Akhras, Alaa, Marashdeh, Ali

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Conformation/Tautomerization effect on the pKa values of lumazine and 6-thienyllumazine von Afaneh, Akef T., Schreckenbach, Georg

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Density functional study of substituted (–SH, –S, –OH, –Cl) hydrated ions of Hg2 von Afaneh, Akef T., Schreckenbach, Georg, Wang, Feiyue

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Robust Barium Phosphonate Metal–Organic Frameworks Synthesized under Aqueous Conditions von Salmeia, Khalifah A, Dolabella, Simone, Parida, Dambarudhar, Frankcombe, Terry J, Afaneh, Akef T, Cordova, Kyle E, Al-Maythalony, Bassem, Zhao, Shanyu, Civioc, Romain, Marashdeh, Ali, Spingler, Bernhard, Frison, Ruggero, Neels, Antonia

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Conformation/Tautomerization effect on the pK a values of lumazine and 6‐thienyllumazine von Afaneh, Akef T., Schreckenbach, Georg

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DFT Insights into FEBID Stability: Condensed Study of Gold(I) Complexes with Phosphine Ligands von Afaneh, Akef T., Alshhadat, Mohanad, Marashdeh, Ali, Almatarneh, Mansour H., Helal, Wissam

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Thiacrown Ethers Engaged C 60 through Charge Transfer: Experimental and Theoretical Study von Al Khalyfeh, Khaled, Afaneh, Akef T., Marashdeh, Ali, Almatarneh, Mansour H., Al-Mazaideh, Ghassab M., Mizyed, Shehadeh, Ashram, Muhammad

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Robust Barium Phosphonate Metal–Organic Frameworks Synthesized under Aqueous Conditions von Salmeia, Khalifah A, Dolabella, Simone, Parida, Dambarudhar, Frankcombe, Terry J, Afaneh, Akef T, Cordova, Kyle E, Al-Maythalony, Bassem, Zhao, Shanyu, Civioc, Romain, Marashdeh, Ali, Spingler, Bernhard, Frison, Ruggero, Neels, Antonia

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Ab Initio calculations of the stabilization energies of the conformational and the structural isomers of C 3 H 7 X where X = F, Cl, and Br von Helal, Mustafa R., Yousef, Yaser A., Afaneh, Akef T.

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Ab Initio calculations of the stabilization energies of the conformational and the structural isomers of C(3)H(7)X where X = F, Cl, and Br von Helal, Mustafa R, Yousef, Yaser A, Afaneh, Akef T

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Ab Initio calculations of the stabilization energies of the conformational and the structural isomers of C3H7X where X = F, Cl, and Br von Helal, Mustafa R., Yousef, Yaser A., Afaneh, Akef T.

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Pteridine-based fluorescent pH sensors designed for physiological applications von Saleh, Na’il, Graham, John, Afaneh, Akef, Al-Soud, Yaseen A., Schreckenbach, Georg, Esmadi, Fatima T.

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