Evidence for long-range repulsive atomic interactions in metals from bond energy calculations

J. G. Eberhart

doi:10.1007/bf02814947

Evidence for long-range repulsive atomic interactions in metals from bond energy calculations

Metallurgical and Materials Transactions B ◽

10.1007/bf02814947 ◽

1971 ◽

Vol 2 (11) ◽

pp. 3007-3010

Author(s):

J. G. Eberhart

Keyword(s):

Long Range ◽

Bond Energy ◽

Energy Calculations ◽

Atomic Interactions

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Molecular-bond-energy calculations based on the Harris-functional approximation coupled with the generalized-gradient approximation

Physical Review B ◽

10.1103/physrevb.45.11299 ◽

1992 ◽

Vol 45 (19) ◽

pp. 11299-11304 ◽

Cited By ~ 18

Author(s):

Kinya Kobayashi ◽

Noriyuki Kurita ◽

Hiroki Kumahora ◽

Kazutami Tago

Keyword(s):

Bond Energy ◽

Generalized Gradient ◽

Energy Calculations ◽

Functional Approximation ◽

Generalized Gradient Approximation ◽

Molecular Bond

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Assessment of Relative Stabilities of Positional Isomers of Polyhedral Heteronuclear Clusters via a Simplified Method of Bond Energy Calculations Based on Tight-Binding Approach and Adjacent Matrix Method: Applications to Binary Icosahedral Clusters.

ChemInform ◽

10.1002/chin.200305002 ◽

2003 ◽

Vol 34 (5) ◽

Author(s):

Boon K. Teo ◽

Alex Strizhev

Keyword(s):

Bond Energy ◽

Matrix Method ◽

Tight Binding ◽

Positional Isomers ◽

Relative Stabilities ◽

Energy Calculations ◽

Heteronuclear Clusters ◽

Icosahedral Clusters ◽

Simplified Method

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Bond-Energy and Surface-Energy Calculations in Metals

Journal of Chemical Education ◽

10.1021/ed100189v ◽

2010 ◽

Vol 87 (6) ◽

pp. 608-612 ◽

Cited By ~ 15

Author(s):

James G. Eberhart ◽

Steve Horner

Keyword(s):

Surface Energy ◽

Bond Energy ◽

Energy Calculations

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The effect of long-range forces on cold-atomic interactions

Journal of Physics Conference Series ◽

10.1088/1742-6596/388/12/122002 ◽

2012 ◽

Vol 388 (12) ◽

pp. 122002 ◽

Cited By ~ 2

Author(s):

Hasi Ray ◽

Anuradha De

Keyword(s):

Long Range ◽

Atomic Interactions

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The electron acceptor effect of end group on charge transfer excitation energy calculations using long-range corrected density functional theory

Journal of Korean Society for Imaging Science & Technology ◽

10.14226/ksist.2020.26.03.2 ◽

2020 ◽

Vol 26 (3) ◽

pp. 70-77

Author(s):

Han-Seok Bae ◽

Jong-Won Song

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Excitation Energy ◽

Long Range ◽

Electron Acceptor ◽

Density Functional ◽

Functional Theory ◽

Energy Calculations ◽

Charge Transfer Excitation ◽

End Group

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Assessment of Relative Stabilities of Positional Isomers of Polyhedral Heteronuclear Clusters via a Simplified Method of Bond Energy Calculations Based on Tight-Binding Approach and Adjacent Matrix Method: Applications to Binary Icosahedral Clusters

Inorganic Chemistry ◽

10.1021/ic020325b ◽

2002 ◽

Vol 41 (24) ◽

pp. 6332-6342 ◽

Cited By ~ 6

Author(s):

Boon K. Teo ◽

Alex Strizhev

Keyword(s):

Bond Energy ◽

Matrix Method ◽

Tight Binding ◽

Positional Isomers ◽

Relative Stabilities ◽

Energy Calculations ◽

Heteronuclear Clusters ◽

Icosahedral Clusters ◽

Simplified Method

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Concepts of Potential Energy, Enthalpy, and Bond Energy Calculations

Survival Guide to General Chemistry ◽

10.1201/9780429445828-18 ◽

2019 ◽

pp. 253-268

Author(s):

Patrick E. McMahon ◽

Rosemary F. McMahon ◽

Bohdan B. Khomtchouk

Keyword(s):

Potential Energy ◽

Bond Energy ◽

Energy Calculations

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- A NOTE ON BOND ENERGY CALCULATIONS IN NANOSTRUCTURED MATERIAL

Functional Materials ◽

10.1201/b18183-12 ◽

2015 ◽

pp. 76-85

Keyword(s):

Bond Energy ◽

Nanostructured Material ◽

Energy Calculations

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Nonlocal-density-functional bond-energy calculations of cage-shaped carbon fullerenes:C32andC60

Physical Review B ◽

10.1103/physrevb.45.13690 ◽

1992 ◽

Vol 45 (23) ◽

pp. 13690-13693 ◽

Cited By ~ 22

Author(s):

Kinya Kobayashi ◽

Noriyuki Kurita ◽

Hiroki Kumahora ◽

Kazutami Tago ◽

Kunio Ozawa

Keyword(s):

Bond Energy ◽

Density Functional ◽

Energy Calculations

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Assessment of density functionals with long-range and/or empirical dispersion corrections for conformational energy calculations of peptides

Journal of Computational Chemistry ◽

10.1002/jcc.21587 ◽

2010 ◽

Vol 31 (16) ◽

pp. 2915-2923 ◽

Cited By ~ 42

Author(s):

Young Kee Kang ◽

Byung Jin Byun

Keyword(s):

Long Range ◽

Conformational Energy ◽

Density Functionals ◽

Energy Calculations ◽

Conformational Energy Calculations

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