| Year |
Citation |
Score |
| 2019 |
Wilson TR, Rajivmoorthy M, Goss J, Riddle S, Eberhart M. Observing the 3D chemical bond and its energy distribution in a projected space. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31591821 DOI: 10.1002/Cphc.201900962 |
0.399 |
|
| 2019 |
Fuller J, Wilson TR, Eberhart ME, Alexandrova AN. Charge Density in Enzyme Active Site as a Descriptor of Electrostatic Preorganization. Journal of Chemical Information and Modeling. PMID 30793899 DOI: 10.1021/Acs.Jcim.8B00958 |
0.304 |
|
| 2019 |
Wilson TR, Eberhart M. Quantum theory of atoms in molecules in condensed charge density space Canadian Journal of Chemistry. 97: 757-762. DOI: 10.1139/Cjc-2019-0086 |
0.376 |
|
| 2018 |
Goss J, Wilson T, Morgenstern A, Eberhart M. Charge density analysis attending bond torsion: A bond bundle case study International Journal of Quantum Chemistry. 118: e25783. DOI: 10.1002/Qua.25783 |
0.348 |
|
| 2017 |
Morgenstern A, Jaszai M, Eberhart ME, Alexandrova AN. Quantified electrostatic preorganization in enzymes using the geometry of the electron charge density. Chemical Science. 8: 5010-5018. PMID 28970888 DOI: 10.1039/C7Sc01301A |
0.324 |
|
| 2017 |
Morgenstern A, Wilson TR, Eberhart ME. Predicting Chemical Reactivity from the Charge Density through Gradient Bundle Analysis: Moving Beyond Fukui Functions. The Journal of Physical Chemistry. A. PMID 28521104 DOI: 10.1021/Acs.Jpca.7B00630 |
0.332 |
|
| 2017 |
Eberhart ME. Are metals made from molecules? Structural Chemistry. 28: 1409-1417. DOI: 10.1007/S11224-017-0917-Z |
0.374 |
|
| 2016 |
Morgenstern A, Morgenstern C, Miorelli J, Wilson T, Eberhart ME. The influence of zero-flux surface motion on chemical reactivity. Physical Chemistry Chemical Physics : Pccp. PMID 26832068 DOI: 10.1039/C5Cp07852K |
0.344 |
|
| 2016 |
Morgenstern A, Eberhart M. Bond dissociation energies from the topology of the charge density using gradient bundle analysis Physica Scripta. 91: 023012. DOI: 10.1088/0031-8949/91/2/023012 |
0.369 |
|
| 2016 |
Miorelli J, Caster A, Eberhart ME. Using Computational Visualizations of the Charge Density To Guide First-Year Chemistry Students through the Chemical Bond Journal of Chemical Education. 94: 67-71. DOI: 10.1021/Acs.Jchemed.6B00058 |
0.331 |
|
| 2015 |
Miorelli J, Wilson T, Morgenstern A, Jones T, Eberhart ME. A full topological analysis of unstable and metastable bond critical points. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 152-9. PMID 25399850 DOI: 10.1002/Cphc.201402641 |
0.366 |
|
| 2015 |
Kong CS, Broderick SR, Jones TE, Loyola C, Eberhart ME, Rajan K. Mining for elastic constants of intermetallics from the charge density landscape Physica B: Condensed Matter. 458: 1-7. DOI: 10.1016/J.Physb.2014.11.002 |
0.349 |
|
| 2015 |
Morgenstern A, Wilson T, Miorelli J, Jones T, Eberhart ME. In search of an intrinsic chemical bond Computational and Theoretical Chemistry. 1053: 31-37. DOI: 10.1016/J.Comptc.2014.10.009 |
0.413 |
|
| 2015 |
Miorelli J, Wilson T, Morgenstern A, Jones T, Eberhart ME. Back Cover: A Full Topological Analysis of Unstable and Metastable Bond Critical Points (ChemPhysChem 1/2015) Chemphyschem. 16: 260-260. DOI: 10.1002/Cphc.201590005 |
0.319 |
|
| 2014 |
Wang XF, Jones TE, Wu Y, Lu ZP, Halas S, Durakiewicz T, Eberhart ME. An electronic criterion for assessing intrinsic brittleness of metallic glasses. The Journal of Chemical Physics. 141: 024503. PMID 25028023 DOI: 10.1063/1.4884783 |
0.415 |
|
| 2014 |
Jones TE, Miorelli J, Eberhart ME. Reactive cluster model of metallic glasses. The Journal of Chemical Physics. 140: 084501. PMID 24588179 DOI: 10.1063/1.4865336 |
0.319 |
|
| 2014 |
Diercks DR, Musselman M, Morgenstern A, Wilson T, Kumar M, Smith K, Kawase M, Gorman BP, Eberhart M, Packard CE. Evidence for anisotropic mechanical behavior and nanoscale chemical heterogeneity in cycled LiCoO2 Journal of the Electrochemical Society. 161: F3039-F3045. DOI: 10.1149/2.0071411Jes |
0.335 |
|
| 2013 |
Eberhart ME, Jones TE. The two faces of chemistry: Can they be reconciled? Foundations of Chemistry. 15: 277-285. DOI: 10.1007/S10698-012-9172-Y |
0.32 |
|
| 2012 |
Jones TE, Eberhart ME, Imlay S, Mackey C, Olson GB. Better alloys with quantum design. Physical Review Letters. 109: 125506. PMID 23005961 DOI: 10.1103/Physrevlett.109.125506 |
0.351 |
|
| 2012 |
Eberhart ME, Jones TE. Cauchy pressure and the generalized bonding model for nonmagnetic bcc transition metals Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.134106 |
0.424 |
|
| 2011 |
Jones TE, Eberhart ME, Imlay S, Mackey C. Bond bundles and the origins of functionality. The Journal of Physical Chemistry. A. 115: 12582-5. PMID 21809887 DOI: 10.1021/Jp203013R |
0.4 |
|
| 2010 |
Jones TE, Eberhart ME, Clougherty DP. Topological catastrophe and isostructural phase transition in calcium. Physical Review Letters. 105: 265702. PMID 21231679 DOI: 10.1103/Physrevlett.105.265702 |
0.677 |
|
| 2010 |
Jones TE, Eberhart ME. The bond bundle in open systems International Journal of Quantum Chemistry. 110: 1500-1505. DOI: 10.1002/Qua.22270 |
0.393 |
|
| 2009 |
Jones TE, Eberhart ME. The irreducible bundle: further structure in the kinetic energy distribution. The Journal of Chemical Physics. 130: 204108. PMID 19485438 DOI: 10.1063/1.3139113 |
0.392 |
|
| 2009 |
Jones TE, Eberhart ME. The topologies of the charge densities in Zr and Ru. Acta Crystallographica. Section a, Foundations of Crystallography. 65: 141-4. PMID 19225195 DOI: 10.1107/S0108767309000531 |
0.39 |
|
| 2008 |
Jones TE, Eberhart ME, Clougherty DP, Woodward C. Electronic selection rules controlling dislocation glide in bcc metals. Physical Review Letters. 101: 085505. PMID 18764636 DOI: 10.1103/Physrevlett.101.085505 |
0.696 |
|
| 2008 |
Jones TE, Eberhart ME, Clougherty DP. Topology of the spin-polarized charge density in bcc and fcc iron. Physical Review Letters. 100: 017208. PMID 18232817 DOI: 10.1103/Physrevlett.100.017208 |
0.646 |
|
| 2008 |
Jones TE, Sauer MA, Eberhart ME. First-principles study of the mode-1 fracture of Fe-TiX interfaces (X=C,N) Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.092104 |
0.318 |
|
| 2008 |
Eberhart ME, Jones TE, Sauer MA. Visualizing the metallic bond Jom. 60: 67-72. DOI: 10.1007/S11837-008-0037-8 |
0.382 |
|
| 2006 |
Havey CD, Eberhart M, Jones T, Voorhees KJ, Laramée JA, Cody RB, Clougherty DP. Theory and application of dissociative electron capture in molecular identification. The Journal of Physical Chemistry. A. 110: 4413-8. PMID 16571045 DOI: 10.1021/Jp056166+ |
0.647 |
|
| 2005 |
Eberhart ME, Jones TE, Batchelder MA, Olson GB. Structure property relationships in the design of alloy composition: Moving beyond electron to atom ratios Journal of Materials Research. 20: 1330-1335. DOI: 10.1557/Jmr.2005.0167 |
0.359 |
|
| 2004 |
Eberhart ME, Clougherty DP. Looking for design in materials design Nature Materials. 3: 659-661. PMID 15467684 DOI: 10.1038/Nmat1229 |
0.641 |
|
| 2002 |
Maroef I, Olson DL, Eberhart M, Edwards GR. Hydrogen trapping in ferritic steel weld metal International Materials Reviews. 47: 191-223. DOI: 10.1179/095066002225006548 |
0.305 |
|
| 2002 |
Eberhart M. Foundations of Chemistry. 4: 201-211. DOI: 10.1023/A:1020655631654 |
0.38 |
|
| 2001 |
Eberhart M. Charge-density-shear-moduli relationships in aluminum-lithium alloys Physical Review Letters. 87: 205503/1-205503/4. DOI: 10.1103/Physrevlett.87.205503 |
0.38 |
|
| 2001 |
Eberhart M. A quantum description of the chemical bond Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 81: 721-729. DOI: 10.1080/13642810108216538 |
0.395 |
|
| 1999 |
Eberhart ME, Woodward C, Giamei AF. The charge redistributon accompanying slip and cleavage: Electronic structure calculations in alloy design Materials Research Society Symposium - Proceedings. 539: 13-22. DOI: 10.1557/Proc-539-13 |
0.466 |
|
| 1998 |
Eberhart ME, Giamei AF. The visualization and use of electronic structure for metallurgical applications Materials Science and Engineering A. 248: 287-295. DOI: 10.1016/S0921-5093(98)00492-4 |
0.409 |
|
| 1996 |
Eberhart M. From topology to geometry Canadian Journal of Chemistry. 74: 1229-1235. DOI: 10.1139/V96-138 |
0.363 |
|
| 1996 |
Eberhart ME. The metallic bond: Elastic properties Acta Materialia. 44: 2495-2504. DOI: 10.1016/1359-6454(95)00347-9 |
0.424 |
|
| 1993 |
Eberhart ME, Clougherty DP, MacLaren JM. Bonding-property relationships in intermetallic alloys Journal of Materials Research. 8: 438-448. DOI: 10.1557/Jmr.1993.0438 |
0.704 |
|
| 1993 |
Eberhart ME, Clougherty DP, Maclaren3 JM. Charge density topology and its relationship to properties in intermetallic alloys Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 68: 455-464. DOI: 10.1080/13642819308217927 |
0.706 |
|
| 1993 |
Eberhart ME, Clougherty DP, MacLaren JM. A theoretical investigation of the mechanisms of fracture in metals and alloys Journal of the American Chemical Society. 115: 5762-5767. DOI: 10.1021/Ja00066A048 |
0.709 |
|
| 1991 |
Eberhart M, Vvedensky D. Grain Boundary Electronic Structure and Materials Design Materials Science Forum. 46: 169-186. DOI: 10.4028/Www.Scientific.Net/Msf.46.169 |
0.557 |
|
| 1991 |
Eberhart M, Clougherty D, Louwen J. Geometrical Origins of Interfacial Strength Mrs Bulletin. 16: 53-58. DOI: 10.1557/S0883769400057110 |
0.675 |
|
| 1991 |
Kim YK, McHenry ME, Oliveria MP, Eberhart ME. Interface Electronic And Magnetic Structures Of Layered Fe In Contact With MgO Mrs Proceedings. 238. DOI: 10.1557/Proc-238-799 |
0.322 |
|
| 1991 |
Eberhart ME, Donovan MM, MacLaren JM, Clougherty DP. Towards a chemistry of cohesion and adhesion Progress in Surface Science. 36: 1-34. DOI: 10.1016/0079-6816(91)90012-S |
0.694 |
|
| 1990 |
Donovan MM, Maclaren JM, Eberhart ME, Barron AR. Bonding and Electronic Structure of Nb/NbC and Nb/NbSi2 Interface Mrs Proceedings. 193. DOI: 10.1557/Proc-193-149 |
0.413 |
|
| 1990 |
Eberhart ME, Kumar KS, Maclaren JM. An electronic model for the D022 to Ll2 transformation of the group IVA trialuminides Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 61: 943-956. DOI: 10.1080/13642819008207854 |
0.354 |
|
| 1990 |
Vvedensky DD, Crampin S, Eberhart ME, Maclaren JM. Quantum mechanics and mechanical properties: Towards twenty-first century materials Contemporary Physics. 31: 73-97. DOI: 10.1080/00107519008222004 |
0.548 |
|
| 1990 |
McHenry ME, MacLaren JM, Eberhart ME, Crampin S. Electronic and magnetic properties of Fe/Au multilayers and interfaces Journal of Magnetism and Magnetic Materials. 88: 134-150. DOI: 10.1016/S0304-8853(97)90023-8 |
0.309 |
|
| 1990 |
Vvedensky DD, Eberhart ME, Christodoulou L, Crampin S, MacLaren JM. Interface electronic structure of XDTM titanium aluminide composites Materials Science and Engineering A. 126: 33-40. DOI: 10.1016/0921-5093(90)90111-F |
0.604 |
|
| 1989 |
MacLaren JM, Crampin S, Vvedensky DD, Eberhart ME. Mechanical stability and charge densities near stacking faults Physical Review Letters. 63: 2586-2589. DOI: 10.1103/PhysRevLett.63.2586 |
0.474 |
|
| 1989 |
Crampin S, Vvedensky DD, MacLaren JM, Eberhart ME. Electronic structure near (210) tilt boundaries in nickel Physical Review B. 40: 3413-3416. DOI: 10.1103/Physrevb.40.3413 |
0.573 |
|
| 1989 |
McHenry ME, MacLaren JM, Vvedensky DD, Eberhart ME, Prueitt ML. Formation of local moments on iron in alkali-metal hosts Physical Review B. 40: 10111-10115. DOI: 10.1103/PhysRevB.40.10111 |
0.49 |
|
| 1988 |
McHenry ME, Vvedensky DD, Eberhart ME, O'Handley RC. Symmetry-induced local magnetic moments in icosahedral Al-Mn alloys. Physical Review. B, Condensed Matter. 37: 10887-10890. PMID 9944548 DOI: 10.1103/Physrevb.37.10887 |
0.556 |
|
| 1988 |
Crampin S, Vvedensky D, Maclaren J, Eberhart M. Electronic Structure of Extended Defects in Close-Packed Metals Mrs Proceedings. 141. DOI: 10.1557/Proc-141-373 |
0.554 |
|
| 1988 |
Eberhart ME, Vvedensky DD. Bond strain at grain boundaries Physical Review Letters. 60: 1981. DOI: 10.1103/PhysRevLett.60.1981 |
0.482 |
|
| 1988 |
Eberhart ME, Vvedensky DD. Environmentally specific mechanical properties: Beyond atomic parameters Physical Review B. 37: 8488-8490. DOI: 10.1103/Physrevb.37.8488 |
0.582 |
|
| 1988 |
Eberhart ME, Vvedensky DD. Model for ductility-enhancement in the L12 intermetallic compounds Scripta Metallurgica. 22: 1183-1188. DOI: 10.1016/S0036-9748(88)80128-5 |
0.429 |
|
| 1987 |
Eberhart ME, Vvedensky DD. Localized grain-boundary electronic states and intergranular fracture Physical Review Letters. 58: 61-64. DOI: 10.1103/Physrevlett.58.61 |
0.56 |
|
| 1987 |
Vvedensky DD, Eberhart ME, McHenry ME. Electronic structure of magnetic impurities in copper Physical Review B. 35: 2061-2063. DOI: 10.1103/PhysRevB.35.2061 |
0.527 |
|
| 1987 |
Vvedensky DD, Eberhart ME. Toward a microscopic basis for mechanical behaviour Philosophical Magazine Letters. 55: 157-161. DOI: 10.1080/09500838708207549 |
0.498 |
|
| 1986 |
McHenry ME, Eberhart ME, O'Handley RC, Johnson KH. Calculated electronic structure of icosahedral Al and Al-Mn alloys. Physical Review Letters. 56: 81-84. PMID 10032534 DOI: 10.1103/PhysRevLett.56.81 |
0.466 |
|
| 1986 |
Wilner M, Adler D, Eberhart ME, Johnson KH. Effects of bond bending on the electronic structure of silane The Journal of Chemical Physics. 84: 6312-6314. DOI: 10.1063/1.450775 |
0.544 |
|
| 1986 |
McHenry ME, Eberhart ME, O'Handley RC, Johnson KH. Electronic structure and magnetism in amorphous alloys exhibiting local icosahedral order Journal of Magnetism and Magnetic Materials. 54: 279-280. DOI: 10.1016/0304-8853(86)90587-1 |
0.579 |
|
| 1986 |
Eberhart ME, Johnson KH, Adler D, O'Handley RC. Cluster molecular orbital models of melting and the amorphous state Journal of Non-Crystalline Solids. 83: 12-26. DOI: 10.1016/0022-3093(86)90052-9 |
0.558 |
|
| 1985 |
Zygmunt SA, Eberhart ME, Johnson KH, Adler D. Planar ring structures in hydrogenated amorphous silicon: A new model for the Staebler-Wronski effect Journal of Non-Crystalline Solids. 77: 107-110. DOI: 10.1016/0022-3093(85)90622-2 |
0.762 |
|
| 1985 |
Zygmunt SA, Eberhart ME, Johnson KH, Adler D. Theoretical studies of aromatic silicon-based structures and their application to photostructural changes in hydrogenated amorphous silicon Journal of Non-Crystalline Solids. 75: 297-303. DOI: 10.1016/0022-3093(85)90234-0 |
0.762 |
|
| 1985 |
Eberhart ME, Johnson KH, Adler D, O'Handley RC, McHenry ME. The Jahn-Teller effect and icosahedral stability in metallic glasses Journal of Non-Crystalline Solids. 75: 97-102. DOI: 10.1016/0022-3093(85)90209-1 |
0.568 |
|
| 1985 |
Eberhart ME, Latanision RM, Johnson KH. Overview no. 44. The chemistry of fracture: A basis for analysis Acta Metallurgica. 33: 1769-1783. DOI: 10.1016/0001-6160(85)90001-X |
0.534 |
|
| 1985 |
O'Handley RC, McHenry ME, Eberhart ME, Johnson KH, Grant NJ. LOCAL ATOMIC ORDER AND MAGNETIC PROPERTIES OF NON-CRYSTALLINE ALLOYS . 241-258. |
0.471 |
|
| 1984 |
Eberhart ME, O'Handley RC, Johnson KH. Molecular-orbital models of structural phase transformations in crystalline and amorphous cobalt alloys Physical Review B. 29: 1097-1100. DOI: 10.1103/Physrevb.29.1097 |
0.538 |
|
| 1984 |
Adler D, Eberhart ME, Johnson KH, Zygmunt SA. Metastable defects in amorphous silicon alloys Journal of Non-Crystalline Solids. 66: 273-278. DOI: 10.1016/0022-3093(84)90331-4 |
0.772 |
|
| 1984 |
Eberhart ME, Johnson KH, Latanision RM. A molecular orbital model of intergranular embrittlement Acta Metallurgica. 32: 955-959. DOI: 10.1016/0001-6160(84)90033-6 |
0.523 |
|
| 1983 |
Eberhart ME, Leon FA, Johnson KH. ELECTRONIC STRUCTURE OF METALLIC GLASSES . 139-151. |
0.476 |
|
| 1983 |
Eberhart ME, Johnson KH, Messmer RP, Briant CL. MOLECULAR ORBITALS AND THE ATOMISTICS OF FRACTURE Nato Conference Series, (Series) 6: Materials Science. 5: 255-280. |
0.409 |
|
| 1982 |
Eberhart ME, Johnson KH, O'Handley RC. MOLECULAR ORBITAL MODEL OF MELTING AND GLASS FORMATION Materials Research Society Symposia Proceedings. 8: 103-108. DOI: 10.1557/Proc-8-103 |
0.506 |
|
| 1982 |
Eberhart ME, Johnson KH, Adler D. Theoretical models for the electronic structures of hydrogenated amorphous silicon. II. Three-center bonds Physical Review B. 26: 3138-3143. DOI: 10.1103/Physrevb.26.3138 |
0.577 |
|
| 1982 |
O'Handley RC, Eberhart ME, Johnson KH, Grant NJ. Resistivity of amorphous Co-Mn-B alloys: Beyond the s-d model Journal of Applied Physics. 53: 8231-8233. DOI: 10.1063/1.330335 |
0.53 |
|
| Show low-probability matches. |