The evaluation of the ONIOM-EE method for the QM/MM hybrid modeling of HF, CO and CO/HF Clusters by Crous, Werner

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Quantum mechanical and experimental infra-red studies on stability and structural properties of substituted acylthiourea compounds by Ghebreysus Woldu, Mengistu

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An Ab Initio density functional study of the structure and stability of transition metal ozone complexes by Venter, Gerhard (Gerhard Abraham)

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Development of an empirical force field and molecular dynamics simulation of N,N'-dialkylimidazolium ionic liquids by Musanur Abrar, Siraj

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