Kimia Komputasi

  1. QSAR analysis of benzothiazole derivatives of antimalarial compounds based on AM1 semi-empirical method

Computational Study Natural Color Essence (Dyes) As Active Material On Organic Solar Cell With Density Functional Theory (DFT)

Studi Komputasi Zat Warna (Dyes) Alami sebagai Material Aktif pada Sel Surya Organik Menggunakan Teori Fungsional Kerapatan (Density Functional Theory, Dft)

Effect Of Scandium On Hidrogen Dissociation Energy At Magnesium Surface: Ab Initio DFT Study

Computational Study Potency of Eugenol and Safrole Derivatives as Active Sunscreen Material

QSAR MODELING AND DESIGN OF A NEW MODEL OF ANTI-HIV DRUG 1-ARYL-TETRAHYDROISOQUINOLINE DERIVED USING THE PM3 SEMIEMPIRICAL METHOD

Computational calculation potency of petunidin and peonidin as photosensitizer in dye-sensitized Solar Cell

Prediksi Potensi Antikanker Senyawa Turunan Xanthon Menggunakan Hubungan Kuantitatif Struktur Dan Aktivitas (HKSA)

QSAR studies of nitrobenzothiazole derivatives as antimalarial agents

Computational Study of Curcumin and Its Analogues for Dye-Sensitized Solar Cell Application

Analysis Of Hydrogen Adsorption And Diffusion On Mg(0001) Surface: an Ab Initio DFT Study

Prediksi Potensi Antikanker Senyawa Turunan Xanthon Menggunakan Hubungan Kuantitatif Struktur Dan Aktivitas (HKSA)

Studi Komputasi Senyawa Turunan Eugenol Dan Safrol Sebagai Bahan Aktif Tabir Surya Menggunakan Metode Semiempiris PM3

Pengaruh skandium terhadap sifat adsorpsi, disosiasi dan difusi hidrogen pada permukaan magnesium:: Studi AB Initio DFT

ANALISIS STRUKTUR MAGNESIUM BULK SEBAGAI HIDROGEN STORAGE: Studi Ab initio dan DFT