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Bond order potential
Known as:
Bop
, Brenner potential
, Tersoff potential
Bond order potential is a class of empirical (analytical) interatomic potentials which is used in molecular dynamics and molecular statics…
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Related topics
Related topics
9 relations
Broader (2)
Computational chemistry
Computational physics
Embedded atom model
Force field (chemistry)
Interatomic potential
Molecular dynamics
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Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2012
Highly Cited
2012
A Comprehensive Analysis of Hydrogen Bond Interactions Based on Local Vibrational Modes
M. Freindorf
,
E. Kraka
,
D. Cremer
2012
Corpus ID: 30421391
Local stretching modes for 69 different DH single bonds and 58 H···A H-bonds are calculated at the ωB97X-D/aug-cc-pVTZ level of…
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Highly Cited
2011
Highly Cited
2011
Music Scenes: Local, Translocal, and Virtual
A. Bennett
,
R. Peterson
2011
Corpus ID: 190141607
While more than 80 percent of the world's commercial music is controlled by four multinational firms, most music is made and…
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Highly Cited
2010
Highly Cited
2010
Atomistic simulations of structural and thermodynamic properties of bilayer graphene
K. V. Zakharchenko
,
J. H. Los
,
M. I. Katsnelson
,
Annalisa Fasolino
2010
Corpus ID: 119121065
Radboud University Nijmegen, Institute for Molecules and Materials,Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands(Dated…
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2007
2007
Bond-order potential for silicon
B. Gillespie
,
Xiaowang W. Zhou
,
D. Murdick
,
H. Wadley
,
R. Drautz
,
D. Pettifor
2007
Corpus ID: 120643966
The tight-binding description of covalent bonding is used to propose a four-level, bond-order potential for elemental silicon…
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Highly Cited
2006
Highly Cited
2006
Analytic bond-order potential for the gallium arsenide system
D. Murdick
,
Xiaowang W. Zhou
,
H. Wadley
,
D. Nguyen-Manh
,
R. Drautz
,
D. Pettifor
2006
Corpus ID: 39660733
An analytic, bond-order potential BOP is proposed and parametrized for the gallium arsenide system. The potential addresses…
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Highly Cited
2004
Highly Cited
2004
Important issues in a molecular dynamics simulation for characterising the mechanical properties of carbon nanotubes
K. Mylvaganam
,
Liangchi Zhang
2004
Corpus ID: 41862773
Highly Cited
2004
Highly Cited
2004
Influence of Chemisorption on the Thermal Conductivity of Single-Wall Carbon Nanotubes
C. Padgett
,
D. Brenner
2004
Corpus ID: 34229201
The thermal conductivity at 300 K of (10,10) carbon nanotubes that have been functionalized by chemical attachment of phenyl…
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Highly Cited
2002
Highly Cited
2002
Comparison of density-functional, tight-binding, and empirical methods for the simulation of amorphous carbon
N. Marks
,
N. C. Cooper
,
D. Mckenzie
,
D. McCulloch
,
P. Båth
,
S. Russo
2002
Corpus ID: 73549675
Amorphous carbon networks are used to test various levels of theoretical approaches to molecular dynamics simulations. The…
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1998
1998
EMPIRICAL BOND-ORDER POTENTIAL FOR SEMICONDUCTORS
D. Conrad
,
K. Scheerschmidt
1998
Corpus ID: 55710693
An empirical bond-order potential for semiconductors is developed. The total energy is expressed as the sum of contributions of…
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1987
1987
Activation of the C–C bond provides a molecular basis for structure sensitivity in metal catalysis
P. Kirlin
,
B. Gates
Nature
1987
Corpus ID: 4320759
The catalytic activation of hydrocarbon C–H and C–C bonds converts petroleum into fuels and chemicals. Understanding of the…
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