Universal force field

Universal force field (UFF) is an all atom potential containing parameters for every atom. The force field parameters are estimated using general… (More)
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Topic mentions per year

1992-2018
02419922018

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2016
2016
The Universal Force Field (UFF) is a classical force field applicable to almost all atom types of the periodic table. Such a… (More)
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2016
2016
Previous calculations suggested that di-tetrazine-tetroxide (DTTO), aka tetrazino-tetrazine-tetraoxide, might have a particularly… (More)
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2013
2013
Adsorption isotherms for CO2 have been computed for the synthesized metalorganic framework (MOF) Fe2(dobdc), where dobdc = 2,5… (More)
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2012
2012
OBGMX is a web service providing topologies for the GROMACS molecular dynamics software package according to the Universal Force… (More)
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2006
2006
We investigated the behavior of large molecular systems containing dipolar molecular rotors and motors. The computations… (More)
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2005
2005
We use Newton equations of motion and Universal Force Field to simulate large systems containing altitudinal and azimuthal… (More)
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2003
2003
Several intramolecular junctions (IMJs) connecting two semiconductor single-wall carbon nanotubes (SWNTs) have been realized by… (More)
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2001
2001
The conversion of methane to methanol over zeolitic a-oxygen sites has been demonstrated using Fe-ZSM-5. To discriminate between… (More)
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1999
1999
Recent work in parts handling advocates the investigation of a new generation of devices for parts feeding, sorting, positioning… (More)
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Highly Cited
1992
Highly Cited
1992
A new molecular mechanics force field, the Universal force field (UFF), is described wherein the force field parameters are… (More)
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