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Computational Chemistry Applications
Acronym | Application Name | Main developer | Stage |
CFD | Analysis of Combustion | Faculty of Mech. Engineering, University of Banja Luka (UoBL), Bosnia - Herzegovina | concept |
CompChem | Quantum Mechanical, Molecular Mechanics, and Molecular Dynamics computation in chemistry | Univeristy of Belgrade, Faculty of Chemistry, Republic of Serbia | testing |
FMD-PA | Design of fullerene and metal-diothiolene-based materials for photonic applications | Computational Chemistry Group of NHRF, Greece | beta |
HC-MD-QM-CS | Hybrid Classical/Quantum Molecular Dynamics – Quantum Mechanical Computer Simulation of Condensed Phases | UKIM, Institute of Chemistry, Faculty of Natural Science and Mathematics, FYROM | alpha |
ISyMAB | Integrated System for Modeling and data Analysis of complex Biomolecules | IFIN-HH/DPETI, Romania | concept |
MDCisplatin | Molecular Design of Platinum Group Metal Complexes as Potential Non-classical Cisplatin Analogues | Acad. Roumen Tsanev Institute of Molecular Biology-BAS, Bulgaria | concept |
PCACIC | Principal component analysis of the conformational interconversions in large-ring cyclodextrins | IOCCP-BAS, Bulgaria | alpha |
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