Faculty of Mathematics and Natural Sciences
Gadjah Mada University
Sekip Utara Jogjakarta 55281
INDONESIA, Southeast Asia
Phone and Fax : +62(0)274/513339
e-mail : ria.armunanto@ugm.ac.id
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Publications

1 'Ab initio QM/MM simulation of Ag+ in 18.6 % aqueous ammonia: Structure and Dynamics Investigations'; Ria Armunanto, Christian F. Schwenk and Bernd M. Rode; J. Phys. Chem. A 109(20)(2005) 4437-4441. 
2 'QM/MM simulation of Au+ ion in aqueous ammonia'; Ria Armunanto, Christian F. Schwenk, Bernhard R. Randolf and Bernd M. Rode; Submitted.
3 'Ab Initio QM/MM Molecular Dynamics Simulations of Co2+ in Liquid Ammonia'; Ria Armunanto, Christian F. Schwenk, Bernhard R. Randolf and Bernd M. Rode; Chem. Phys. 305 (2004) 135-140.
4 'Ag(I) ion in liquid ammonia'; Ria Armunanto, Christian F. Schwenk, Bernhard R. Randolf and Bernd M. Rode; Chem. Phys. Lett., 388 (2004) 395-399.
5 'Gold(I) in liquid ammonia: Ab inito QM/MM molecular dynamics simulation'; Ria Armunanto, Christian F. Schwenk and Bernd M. Rode ; J. Am. Chem. Soc. (Communication), 126(32) (2004), 9934-9935.
6 'Structure and Dynamics of Au+ Ion in Aqueous Solution: ab initio QM/MM MD Simulations'; Ria Armunanto, Christian F. Schwenk, Hung T. Tran and Bernd M. Rode, J. Am. Chem. Soc. 126(8) (2004), 2582-2587.
7 'Classical and QM/MM Molecular Dynamics Simulations of Co2+ in water'; Ria Armunanto, Christian F. Schwenk, A. H. Bambang Setiaji and Bernd M. Rode, Chem.Phys. 295(1)(2003), 63-70.
8 'Structure and Dynamics of hydrated Ag(I): Ab initio quantum mechanical-molecular mechanical molecular dynamics simulation'; Ria Armunanto, Christian F. Schwenk and Bernd M. Rode, J. Phys. Chem. A 107(17)(2003) 3132-3138.

J.Am.Chem.Soc. 126(8) (2004), 2582-2587

Current Research :
  • Molecular modeling of zeolites
  • QSAR for drug design
  • Simulation of liquids
  • Smart organic materials


  • Last update 9 January 2007
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