Ab initio study on the formation of triiodide CT complex from the reaction of iodine with 2,3-diaminopyridine

Ab initio molecular orbital theory

Warren J. Hehre · Accounts of Chemical Research · 1976 · 7.9K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

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Ab initio molecular orbital theory

Journal of Molecular Structure THEOCHEM · 1987 · 4.5K citations

Natural Sciences, Chemistry, Computational Chemistry +5

Anticancer activities of some newly synthesized pyridine, pyrane, and pyrimidine derivatives

Abd El‐Galil E. Amr, Ashraf M. Mohamed, Salwa F. Mohamed et al. · Bioorganic & Medicinal Chemistry · 2006 · 274 citations

Pharmacy, Medicinal Chemistry, Oncology +11

Platinum(II) complexes with 2-acetyl pyridine thiosemicarbazone Synthesis, crystal structure, spectral properties, antimicrobial and antitumour activity

D. Kovala‐Demertzi · Journal of Inorganic Biochemistry · 2001 · 219 citations

Natural Sciences, Chemistry, Medicinal Chemistry +9