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Publications
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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.
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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. |
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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
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Last update 9 January 2007
Developed by Himself
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