| Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite P Rulis, L Ouyang, WY Ching Physical Review B—Condensed Matter and Materials Physics 70 (15), 155104, 2004 | 222 | 2004 |
| Electronic Structure Methods for Complex Materials: The orthogonalized linear combination of atomic orbitals WY Ching, P Rulis OUP Oxford, 2012 | 169 | 2012 |
| Ab initio elastic properties and tensile strength of crystalline hydroxyapatite WY Ching, P Rulis, A Misra Acta Biomaterialia 5 (8), 3067-3075, 2009 | 153 | 2009 |
| Theoretical prediction of the structure and properties of cubic spinel nitrides WY Ching, SD Mo, L Ouyang, P Rulis, I Tanaka, M Yoshiya Journal of the American Ceramic Society 85 (1), 75-80, 2002 | 133 | 2002 |
| Ab initio study of the physical properties of : Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectra WY Ching, L Ouyang, P Rulis, H Yao Physical Review B—Condensed Matter and Materials Physics 78 (1), 014106, 2008 | 126 | 2008 |
| Intrinsic mechanical properties of 20 MAX‐phase compounds WY Ching, Y Mo, S Aryal, P Rulis Journal of the American ceramic society 96 (7), 2292-2297, 2013 | 118 | 2013 |
| Electronic structure and optical conductivities of 20 MAX-phase compounds Y Mo, P Rulis, WY Ching Physical Review B—Condensed Matter and Materials Physics 86 (16), 165122, 2012 | 117 | 2012 |
| Mechanical properties, electronic structure and bonding of α-and β-tricalcium phosphates with surface characterization L Liang, P Rulis, WY Ching Acta biomaterialia 6 (9), 3763-3771, 2010 | 101 | 2010 |
| Accurate redetermination of the X-ray structure and electronic bonding in adenosylcobalamin L Ouyang, P Rulis, WY Ching, G Nardin, L Randaccio Inorganic chemistry 43 (4), 1235-1241, 2004 | 95 | 2004 |
| Role of interatomic bonding in the mechanical anisotropy and interlayer cohesion of CSH crystals CC Dharmawardhana, A Misra, S Aryal, P Rulis, WY Ching Cement and Concrete Research 52, 123-130, 2013 | 94 | 2013 |
| Electronic structure, bonding, charge distribution, and x-ray absorption spectra of the (001) surfaces of fluorapatite and hydroxyapatite from first principles P Rulis, H Yao, L Ouyang, WY Ching Physical Review B—Condensed Matter and Materials Physics 76 (24), 245410, 2007 | 93 | 2007 |
| Mechanism for amorphization of boron carbide BC under uniaxial compression S Aryal, P Rulis, WY Ching Physical Review B—Condensed Matter and Materials Physics 84 (18), 184112, 2011 | 92 | 2011 |
| The electronic structure and spectroscopic properties of 3C, 2H, 4H, 6H, 15R and 21R polymorphs of SiC WY Ching, YN Xu, P Rulis, L Ouyang Materials Science and Engineering: A 422 (1-2), 147-156, 2006 | 88 | 2006 |
| Vacancy-enhanced ferromagnetism in Fe-doped rutile J Chen, P Rulis, L Ouyang, S Satpathy, WY Ching Physical Review B—Condensed Matter and Materials Physics 74 (23), 235207, 2006 | 76 | 2006 |
| Complex Nonlinear Deformation of Nanometer Intergranular Glassy Films in J Chen, L Ouyang, P Rulis, A Misra, WY Ching Physical review letters 95 (25), 256103, 2005 | 68 | 2005 |
| Ab initio calculation of the electronic structure and spectroscopic properties of spinel WY Ching, P Rulis Physical Review B—Condensed Matter and Materials Physics 73 (4), 045202, 2006 | 66 | 2006 |
| Structure and electronic properties of a continuous random network model of an amorphous zeolitic imidazolate framework (a-ZIF) P Adhikari, M Xiong, N Li, X Zhao, P Rulis, WY Ching The Journal of Physical Chemistry C 120 (28), 15362-15368, 2016 | 60 | 2016 |
| Mechanical properties and electronic structure of mullite phases using first‐principles modeling S Aryal, P Rulis, WY Ching Journal of the American Ceramic Society 95 (7), 2075-2088, 2012 | 57 | 2012 |
| Electronic structure and bonding of intergranular glassy films in polycrystalline : Ab initio studies and classical molecular dynamics simulations P Rulis, J Chen, L Ouyang, WY Ching, X Su, SH Garofalini Physical Review B—Condensed Matter and Materials Physics 71 (23), 235317, 2005 | 54 | 2005 |
| Ab initio theoretical tensile test on Y-doped Σ= 3 grain boundary in α-Al2O3 J Chen, YN Xu, P Rulis, L Ouyang, WY Ching Acta materialia 53 (2), 403-410, 2005 | 53 | 2005 |
