2007
DOI: 10.1016/j.trstmh.2007.01.007
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“…Today, many molecular modeling programs allow the user to interactively build a molecule and compute its properties on the basis of quantum chemistry or molecular mechanics, usually through a sophisticated graphical user interface [7][8][9][10]. Some of them can predict not only properties of gas phase compounds, but also some aspects of materials made from these compounds [10][11][12].…”
Section: Comparison With Other Softwarementioning
confidence: 99%
“…Today, many molecular modeling programs allow the user to interactively build a molecule and compute its properties on the basis of quantum chemistry or molecular mechanics, usually through a sophisticated graphical user interface [7][8][9][10]. Some of them can predict not only properties of gas phase compounds, but also some aspects of materials made from these compounds [10][11][12].…”
Section: Comparison With Other Softwarementioning
confidence: 99%