Publications

  1. Apresio K. Fajrial, Adhitya G. Saputro, Mohammad K. Agusta, Febdian Rusydi, Nugraha and Hermawan K. Dipojono, “First Principles Study of Oxygen Molecule Interaction with Graphitic Active Sites of Boron-doped Pyrolyzed Fe-N-C Catalyst”, Physical Chemistry Chemical Physics, 19, 23497, 2017.
  2. Ryo Kishida, Adhitya Gandaryus Saputro, Ryan Lacdao Arevalo and Hideaki Kasai, “Effects of introduction of a-carboxylate, N-methyl, and N- formyl groups on intramolecular cyclization of o-quinone amines: Density functional theory-based study”, Int J Quantum Chem., e25445, 2017.
  3. Mohammad Kemal Agusta, Prasetiyo Hadi Purwoko, Adhitya Gandaryus Saputro, Fadjar Fathurrahman, Hermawan K. Dipojono and Wilson Agerico Diño,” Conformational effects on hydrazine and OH coadsorption on Ni(111): A first-principles investigation”, Surface Science 664,185–193, 2017.
  4. Febdian Rusydi, Ganes Shukri, Adithya G. Saputro, Mohammad K. Agusta, Hermawan K. Dipojono, and Suprijadi, “Dipole Strength Calculation Based on Two-Level System Approximation to Study Q=B-Band Intensity Ratio of ZnTBP in Solvent” Journal of the Physical Society of Japan 86, 044706, 2017.
  5. Nugraha, Adhitya Gandaryus Saputro, Mohammad Kemal Agusta, Brian Yuliarto, Hermawan K. Dipojono, Febdian Rusydi and Ryo Maezono , “Selectivity of CO and NO adsorption on ZnO (0002) surfaces: A DFT investigation“, Applied Surface Science 410,373–382, 2017.
  6. Adhitya Gandaryus Saputro and Hideaki Kasai, “Oxygen reduction reaction on neighboring Fe-N4 and quaternary-N sites of pyrolized Fe/N/C catalyst”, Physical Chemistry Chemical Physics, 17, 3059-3071, 2015.
  7. Ryo Kishida, Adhitya Gandaryus Saputro and Hideaki Kasai, “Mechanism of dopachrome tautomerization into 5,6-dihydroxyindole-2-carboxylic acid catalyzed by Cu(II) based on quantum chemical calculations”, Biochimica et Biophysica Acta 1850 (2015) 281–286
  8. Koichiro Asazawa, Hirofumi Kishi, Hirohisa Tanaka, Daiju Matsumura, Kazuhisa Tamura, Yasuo Nishihata, Adhitya Gandaryus Saputro, Hiroshi Nakanishi, Hideaki Kasai, Kateryna Artyushkova and Plamen Atanassov, “In Situ XAFS and HAXPES Analysis and Theoretical Study of Cobalt Polypyrrole Incorporated on Carbon (CoPPyC) Oxygen Reduction Reaction Catalysts for Anion-Exchange Membrane Fuel Cells”, The Journal of Physical Chemistry C, 118, 25480−25486, 2014.
  9. Febdian Rusydi, Adhitya Gandaryus Saputro, and Hideaki Kasai, ”A density functional study on the change of Q/B-band intensity ratio of zinc tetraphenylporphyrin in solvents”, Journal of the Physical Society of Japan, Vol. 83(8), pp.084802, 2014.
  10. Ryo Kishida, Yohei Ushijima, Adhitya Gandaryus Saputro and Hideaki Kasai, ”pH Effect on elementary steps of dopachrome conversion from first principles calculation”, Pigment Cell & Melanoma Research, 10.1111/pcmr.12256, 2014.
  11. Adhitya Gandaryus Saputro and Hideaki Kasai, ”Density functional theory study on the interaction of O2 and H2O2 molecules with the active sites of cobalt-polypyrrole catalyst”, Journal of the Physical Society of Japan, Vol.83, pp.24707-1, 2014.
  12. Febdian Rusydi, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro and Hideaki Kasai, ”A theoretical study of ligand effects on the electronic structures of ligated zinc porphyrin using density functional theory”, Journal of the Vacuum Society of Japan, Vol.57(3), pp.102-110, 2014.
  13. Adhitya Gandaryus Saputro, Hideaki Kasai, Koichiro Asazawa, Hirofumi Kishi, and Hirohisa Tanaka, ”Comparative study on the catalytic activity of the TM-N2 active sites (TM = Mn, Fe, Co, Ni) in the oxygen reduction reaction: Density functional theory study”, Journal of the Physical Society of Japan, Vol.82(11), pp.114704, 2013.
  14. Adhitya Gandaryus Saputro, Febdian Rusydi, Hideaki Kasai and Hermawan K. Dipojono, ”Oxygen Reduction Reaction on Cobalt-(6)Pyrrole Clus- ter: Density Functional Theory Study”, Journal of the Physical Society of Japan, Vol. 81, pp. 034703, 2012.
  15. Febdian Rusydi, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro and Hideaki Kasai, ”A first principle study on zinc-porphyrin interaction with O2 in zinc-porphyrin(Oxygen) complex”, Journal of the Physical Society of Japan, Vol. 81, pp. 124301, 2012.
  16. Triati Dewi Kencana Wungu, Mohammad Kemal Agusta, Adhitya Gandaryus Saputro, Hermawan Kresno Dipojono and Hideaki Kasai, ”First principles calculation on the adsorption of water on lithium-montmorillonite (Li-MMT)”, Journal of Physics Condensed Matter, Vol. 24, pp. 475506, 2012.
  17. Hermawan Kresno Dipojono, Adhitya Gandaryus Saputro, Susan Menez Aspera and Hideaki Kasai, ”Density functional theory study on the interaction of O2 molecule with Cobalt-(6)Pyrrole clusters”, Japanese Journal of Applied Physics, Vol. 50, pp. 055702, 2011.
  18. Hermawan K. Dipojono, Irma Safitri, Nugraha, Eko Mursito Budi, Nuryanti, Adhitya G. Saputro, Melanie Y. David and Hideaki Kasai, “Immobilization of Amino Acids Leucine and Glycine on Polypyrrole for Biosensor Applications: A Density Functional Theory Study”, ITB Journal of Science, Vol. 43 A, No. 2, 113-122, 2011.
  19. Hermawan K. Dipojono, Adhitya Gandaryus Saputro, Rachid Belkada, Hiroshi Nakanishi, Hideaki Kasai, Melanie David and Eben Sy Dy, ”Adsorption of O2 on cobalt-(n)pyrrole molecules from first-principles calculations”, Journal of the Physical Society of Japan, Vol. 78, pp. 094710-094717, 2009.