Wai-Yim Ching
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Physicist and researcher
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Physics
Wai-Yim Ching's Degrees
- PhD Physics University of California, Berkeley
Why Is Wai-Yim Ching Influential?
(Suggest an Edit or Addition)According to Wikipedia, Wai-Yim Ching is a Curator’s Professor of Physics at the University of Missouri, Kansas City. He is also a group leader at the Electronic Structure Group in the Department of Physics and Astronomy and an invited speaker of the 57th Midwest Solid State Conference.
Wai-Yim Ching's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Grain Boundary Strengthening in Alumina by Rare Earth Impurities (2006) (346)
- Long Range Interactions in Nanoscale Science. (2010) (321)
- Ab Initio Calculation of Elastic Constants of Ceramic Crystals (2007) (267)
- Theoretical Studies of the Electronic Properties of Ceramic Materials (1990) (192)
- Interesting Physical Properties of the New Spinel Phase of Si 3 N 4 and C 3 N 4 (1999) (174)
- A minimal basis semi-ab initio approach to the band structures of semiconductors (1985) (167)
- Electronic structure of yttrium aluminum garnet ( Y 3 Al 5 O 12 ) (1999) (160)
- First-principles calculations of ELNES and XANES of selected wide-gap materials: Dependence on crystal structure and orientation (2004) (158)
- Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite (2004) (141)
- Electronic, structural, and optical properties of crystalline yttria (1997) (139)
- Ab initio calculation of the core-hole effect in the electron energy-loss near-edge structure (2000) (124)
- Ab initio elastic properties and tensile strength of crystalline hydroxyapatite. (2009) (120)
- Higher-Order Continuum Theory Applied to Fracture Simulation of Nanoscale Intergranular Glassy Film (2011) (117)
- Electronic Structure and Electrical Conductivity of Undoped LiFePO4 (2004) (116)
- Nonscalability and nontransferability in the electronic properties of the Y-Al-O system (1999) (108)
- Recent Advances in New Hard High‐Pressure Nitrides (2006) (107)
- Electronic Structure Methods for Complex Materials: The orthogonalized linear combination of atomic orbitals (2012) (106)
- First‐Principles Calculation of Electronic, Optical, and Structural Properties of α‐Al2O3 (1994) (102)
- A genomic approach to the stability, elastic, and electronic properties of the MAX phases (2014) (100)
- Electronic structures of - and a-silicon nitride (1981) (95)
- Theoretical Prediction of the Structure and Properties of Cubic Spinel Nitrides (2004) (88)
- Ab initiostudy of the physical properties ofγ-Al2O3: Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectra (2008) (85)
- Prediction of spinel structure and properties of single and double nitrides (2001) (84)
- Theory of amorphous SiO2 and SiOx. I. Atomic structural models (1982) (80)
- Intrinsic Mechanical Properties of 20 MAX-Phase Compounds (2013) (80)
- Electronic structure and optical conductivities of 20 MAX-phase compounds (2012) (76)
- Electronic structure of a grain-boundary model in SrTiO{sub 3} (1999) (74)
- Ab-Initio Total Energy Calculation of α- and β-Silicon Nitride and the Derivation of Effective Pair Potentials with Application to Lattice Dynamics (1998) (71)
- Mechanical properties, electronic structure and bonding of alpha- and beta-tricalcium phosphates with surface characterization. (2010) (71)
- Identification of ultradilute dopants in ceramics (2003) (70)
- Giant magnetic moment in epitaxial Fe 3 O 4 thin films on MgO(100) (2008) (70)
- Mechanism for amorphization of boron carbide B4C under uniaxial compression (2011) (69)
- Electronic structure of aluminum nitride: Theory and experiment (1993) (69)
- Quantum Mechanical Metric for Internal Cohesion in Cement Crystals (2014) (67)
- Electronic and optical properties of Y 2 SiO 5 and Y 2 Si 2 O 7 with comparisons to α-SiO 2 and Y 2 O 3 (2003) (67)
- X-ray absorption near-edge structure in alpha-quartz and stishovite: Ab initio calculation with core--hole interaction (2001) (65)
- Electronic structure and bonding in garnet crystals Gd{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12}, Gd{sub 3}Sc{sub 2}Al{sub 3}O{sub 12}, and Gd{sub 3}Ga{sub 3}O{sub 12} compared to Y{sub 3}Al{sub 3}O{sub 12} (2000) (65)
- Fundamental electronic structure and multiatomic bonding in 13 biocompatible high-entropy alloys (2020) (65)
- Role of interatomic bonding in the mechanical anisotropy and interlayer cohesion of CSH crystals (2013) (64)
- Band structure, cohesive energy, optical conductivity, and Compton profile of lithium (1974) (63)
- Electronic and Structural Properties of Bulk ?-Al2O3 (2005) (63)
- Critical point analysis of the interband transition strength of electrons (1996) (63)
- Electronic structure, bonding, charge distribution, and x-ray absorption spectra of the (001) surfaces of fluorapatite and hydroxyapatite from first principles (2007) (62)
- Fullab initiogeometry optimization of all known crystalline phases ofSi3N4 (2000) (61)
- Approximate lattice thermal conductivity of MAX phases at high temperature (2015) (61)
- Electronic structures of three phases of zirconium oxide (1988) (59)
- Accurate redetermination of the X-ray structure and electronic bonding in adenosylcobalamin. (2004) (59)
- Order-disorder transformations in chemisorbed layers: Oxygen on W(110) (1978) (58)
- Calculation of XANES/ELNES Spectra of All Edges in Si3N4 and Si2N2O (2004) (56)
- Electronic and optical properties ofθ−Al2O3and comparison toα−Al2O3 (1998) (55)
- Electronic states and bonding configurations in hydrogenated amorphous silicon (1980) (55)
- The electronic structure and spectroscopic properties of 3C, 2H, 4H, 6H, 15R and 21R polymorphs of SiC (2006) (53)
- Key Interacting Residues between RBD of SARS-CoV-2 and ACE2 Receptor: Combination of Molecular Dynamics Simulation and Density Functional Calculation (2021) (53)
- Vacancy-enhanced ferromagnetism in Fe-doped rutileTiO2 (2006) (52)
- Complex Nonlinear Deformation of Nanometer Intergranular Glassy Films in β−Si3N4 (2005) (52)
- Comparative studies of the electronic structure of LiFePO4, FePO4, Li3PO4, LiMnPO4, LiCoPO4, and LiNiPO4 (2004) (51)
- Prediction of the new spinel phase of Ti3N4, and SiTi2N4 and the metal-insulator transition (2000) (51)
- van der Waals-London dispersion interactions for optically anisotropic cylinders: Metallic and semiconducting single-wall carbon nanotubes (2007) (51)
- Structural, electronic and optical properties of a large random network model of amorphous SiO2 glass (2014) (49)
- Densification of a continuous random network model of amorphous SiO2 glass. (2014) (49)
- Structure and Electronic Properties of a Continuous Random Network Model of an Amorphous Zeolitic Imidazolate Framework (a-ZIF) (2016) (48)
- Mechanical Properties and Electronic Structure of Mullite Phases Using First‐Principles Modeling (2012) (47)
- Calculating van der {Waals-London} dispersion spectra and Hamaker coefficients of carbon nanotubes in water from ab initio optical properties (2007) (46)
- Electronic and dielectric properties of insulating Zr 3 N 4 (2002) (45)
- Ab initio calculation of the electronic structure and spectroscopic properties of spinel γ − Sn 3 N 4 (2006) (45)
- An effective dipole theory for band lineups in semiconductor heterojunctions (1987) (44)
- Theory of amorphous SiO 2 and SiO x . II. Electron states in an intrinsic glass (1982) (44)
- Molecular mechanism and binding free energy of doxorubicin intercalation in DNA. (2019) (44)
- The magnetism of amorphous metals and alloys (1995) (43)
- Electron energy loss near-edge structures of cubic Si3N4 (2001) (43)
- Structural disorder and electronic properties of amorphous silicon (1977) (42)
- Ab initio simulation of elastic and mechanical properties of Zn- and Mg-doped hydroxyapatite (HAP). (2015) (42)
- Microscopic Calculation of Localized Electron States in an Intrinsic Glass (1981) (41)
- Ab initio theoretical tensile test on Y-doped Σ = 3 grain boundary in α-Al2O3 (2005) (41)
- Ab initio calculations for the neutral and charged O vacancy in sapphire (1997) (41)
- Electronic and optical properties of γ-Al2O3 from ab initio theory (2004) (40)
- Theoretical prediction of ELNES/XANES and chemical bondings of AlN polytypes. (2003) (39)
- Selfconsistent band structures and optical calculations in cubic ferroelectric perovskites (1990) (39)
- Theoretical Studies of Electronic States Produced by Hydrogenation of Amorphous Silicon (1979) (39)
- Comprehending the occupying preference of manganese substitution in crystalline cement clinker phases: A theoretical study (2018) (39)
- Theoretical nonlinear response of complex single crystal under multi-axial tensile loading (2013) (38)
- “Electronic Structure and Bonding of All Crystalline Phases in the Silica–Yttria–Silicon Nitride Phase Equilibrium Diagram” (2005) (38)
- Implication of the solvent effect, metal ions and topology in the electronic structure and hydrogen bonding of human telomeric G-quadruplex DNA. (2016) (37)
- Chirality-dependent properties of carbon nanotubes: electronic structure, optical dispersion properties, Hamaker coefficients and van der Waals–London dispersion interactions (2012) (36)
- Density-functional calculation of methane adsorption on graphite (0001) (2006) (36)
- Monte Carlo studies of the critical behavior of site-dilute two-dimensional Ising models (1976) (35)
- Ab initio studies of Mo-based alloys: Mechanical, elastic, and vibrational properties (2013) (35)
- Nature of Interatomic Bonding in Controlling the Mechanical Properties of Calcium Silicate Hydrates (2016) (35)
- Ab initio investigation of hydrogen bonding and network structure in a supercooled model of water (2011) (35)
- Theory of amorphous SiO2andSiOx. III. Electronic structures ofSiOx (1982) (35)
- Observation of reduced phase transition temperature in N-doped thermochromic film of monoclinic VO 2 (2017) (35)
- Core exciton, valence exciton, and optical properties of yttrium aluminum garnet (Y 3 Al 5 O 12 ) (2002) (34)
- Density functional calculations of the electronic structure and optical properties of aluminosilicate polymorphs (Al2SiO5) (2008) (34)
- Orthogonalized linear combinations of atomic orbitals: Application to the calculation of energy bands of Si III (1975) (34)
- Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses. (2017) (34)
- Electronic structure and bonding of intergranular glassy films in polycrystalline Si 3 N 4 : Ab initio studies and classical molecular dynamics simulations (2005) (33)
- XPS study of CaO in sodium silicate glass (1981) (33)
- Electronic Structure, Dielectric Response, and Surface Charge Distribution of RGD (1FUV) Peptide (2014) (33)
- Electronic Structure and Bonding of -SiAlON (2004) (32)
- Comparative studies of electronic structures of sodium metasilicate and. cap alpha. and. beta. phases of sodium disilicate (1983) (32)
- Charge-density variation in a model of amorphous silicon (1980) (31)
- Photoelectron and electron energy loss spectra of epitaxial aluminum nitride (1985) (31)
- Intra- and intermolecular atomic-scale interactions in the receptor binding domain of SARS-CoV-2 spike protein: implication for ACE2 receptor binding. (2020) (31)
- Electronic structure and bonding in the Y-Si-O-N quaternary crystals (2004) (30)
- Structure and properties of spinel Fe3N4 and comparison to zinc blende FeN (2002) (30)
- Calculation of electron states inCuxZr1−xglasses by the orthogonalized linear combination of atomic orbitals method (1984) (29)
- Electronic structures ofSi2N2O andGe2N2O crystals (1981) (29)
- Designing the Interface of Carbon Nanotube/Biomaterials for High-Performance Ultra-Broadband Photodetection. (2017) (29)
- Electronic structure and bonding in vitamin B12, cyanocobalamin (2003) (28)
- ELECTRON AND PHONON STATES IN AN IDEAL CONTINUOUS RANDOM NETWORK MODEL OF A-SIO2 GLASS (1999) (27)
- Ab initio ELNES/XANES spectral calculation of polar and non-polar grain boundaries in β-SiC (2004) (27)
- Electronic energy structure of amorphous silicon (1976) (27)
- Electronic and optical properties of the cubic spinel phase ofc−Si3N4,c−Ge3N4,c−SiGe2N4,andc−GeSi2N4 (2001) (26)
- Electronic structure and partial charge distribution of Doxorubicin in different molecular environments. (2015) (26)
- Optical Properties of the Vanadium Oxides VO2 and V2O5 (1990) (26)
- Energy bands, optical conductivity, and Compton profile of sodium (1975) (26)
- Theoretical study of the elasticity, mechanical behavior, electronic structure, interatomic bonding, and dielectric function of an intergranular glassy film model in prismatic β-Si3N4 (2010) (25)
- Theoretical study of the large linear dichroism of herapathite (2009) (25)
- The Hydration Effect and Selectivity of Alkali Metal Ions on Poly(ethylene glycol) Models in Cyclic and Linear Topology. (2017) (25)
- Effects of Al substitution in Nd2Fe17 studied by first‐principles calculations (1994) (25)
- Ab initio tensile experiment on a model of an intergranular glassy film in β-Si3N4 with prismatic surfaces (2009) (24)
- Electronic structure, stacking energy, partial charge, and hydrogen bonding in four periodic B-DNA models. (2014) (24)
- Molecular dynamics simulation of Y-doped Σ37 grain boundary in alumina (2005) (24)
- Properties of non-equivalent sites and bandgap of spinel-phase silicon nitride (2004) (24)
- Dispersion interactions between optically anisotropic cylinders at all separations: Retardation effects for insulating and semiconducting single-wall carbon nanotubes (2009) (24)
- Theoretical calculation of the optical properties of Y3Fe5O12 (2001) (24)
- Impact of Hydrogen Bonding in the Binding Site between Capsid Protein and MS2 Bacteriophage ssRNA. (2017) (24)
- Numerical studies of energy levels and eigenfunction localization in dilute three-dimensional systems with exponential interactions (1982) (24)
- Binding Interactions between Receptor-Binding Domain of Spike Protein and Human Angiotensin Converting Enzyme-2 in Omicron Variant (2022) (23)
- X-ray absorption near edge structure/electron energy loss near edge structure calculation using the supercell orthogonalized linear combination of atomic orbitals method (2009) (23)
- Characterizing CA2 and CA6 using ELNES (2010) (23)
- Electronic structures and physical properties of Na 2 O doped silicate glass (2017) (23)
- Electronic structure and optical properties of LiB sub 3 O sub 5 (1990) (22)
- Ab initio Modeling of the Electronic Structures and Physical Properties of a‐Si1−xGexO2 Glass (x = 0 to 1) (2016) (22)
- Comparative study of the electronic structure of two laser crystals: BeAl{sub 2}O{sub 4} and LiYF{sub 4} (2001) (22)
- Ab initio calculations of strain fields and failure patterns in silicon nitride intergranular glassy films (2007) (22)
- First-principles calculation of the electronic structure of yttrium iron garnet (Y3Fe5O12) (2000) (22)
- A structural-based microscopic theory on high-temperature cuprate superconductors (2004) (22)
- Electronic and optical properties of Y2SiO5 and Y2Si2O7 with comparisons to α-SiO2 and Y2O3 (2003) (21)
- Ab initio modeling of clean and Y-doped grain boundaries in alumina and intergranular glassy films (IGF) in β-Si3N4 (2006) (21)
- Ab initio calculation of the O-K, N-K, Si-K, Si-L 3 , Y-K, Y-L 3 edges in the Y-Si-O-N system: A strategy for ELNES/XANES spectral modeling in complex materials (2008) (21)
- Density functional calculations of the electronic structure and optical properties of the ternary carbidesAl4SiC4andAl4Si2C5 (2008) (21)
- Disentangling the Effects of Shape and Dielectric Response in van der Waals Interactions between Anisotropic Bodies (2015) (21)
- Zero-temperature spin dynamics of model spin-glass Hamiltonians (1977) (21)
- Electronic structure, mechanical, and optical properties of CaO·Al2O3 system: a first principles approach (2016) (20)
- Density Functional Theory Study of Single Metal Atoms Embedded into MBene for Electrocatalytic Conversion of N2 to NH3 (2020) (20)
- Atomic picture of elastic deformation in a metallic glass (2015) (20)
- Electronic Structure of a Near Σ11 a-axis Tilt Grain Boundary in α-A12O3 (2005) (20)
- Electronic structure and dielectric properties of dielectric gate material (ZrO2)x(SiO2)1−x (2004) (20)
- Electronic structure and optical properties of amorphous GeO 2 in comparison to amorphous SiO 2 (2015) (20)
- Models for the time development of spectral transfer in disordered systems (1978) (20)
- Electronic energy-band structure of(SN)xandS2N2crystals (1977) (20)
- Monte-Carlo Modeling of Phase Changes in the Chemisorption System O/W(110). (1977) (19)
- AB-INITIO CALCULATION OF EXCITED STATE ABSORPTION OF CR4+ IN Y3AL5O12 (1999) (19)
- Geometry Optimization and Ground‐State Properties of Complex Ceramic Oxides (2001) (19)
- Charge distribution and hydrogen bonding of a collagen α2‐chain in vacuum, hydrated, neutral, and charged structural models (2016) (19)
- Electronic structures of LiFePO 4 and FePO 4 studied using resonant inelastic x-ray scattering (2006) (19)
- The electronic structure and chemical bonding of vitamin B12 (2003) (19)
- Mechanical properties of silica glass predicted by a pair-wise potential in molecular dynamics simulations (2016) (18)
- Polarity‐Controlled Attachment of Cytochrome C for High‐Performance Cytochrome C/Graphene van der Waals Heterojunction Photodetectors (2018) (18)
- Electron states and Fermi surfaces in the organic superconductor κ-(BEDT-TTF ) 2 Cu[N(CN ) 2 ]Br (1997) (18)
- Electronic structure and physical properties of the spinel-type phase of BeP 2 N 4 from all-electron density functional calculations (2011) (18)
- Atomic-Scale Quantification of Interfacial Binding between Peptides and Inorganic Crystals: The Case of Calcium Carbonate Binding Peptide on Aragonite (2017) (18)
- First‐principles study in an inter‐granular glassy film model of silicon nitride (2018) (17)
- Structure and properties of hydrogrossular mineral series (2017) (17)
- van der Waals Interactions on the Mesoscale: Open-Science Implementation, Anisotropy, Retardation, and Solvent Effects. (2015) (17)
- Dependence of DNA electronic structure on environmental and structural variations. (2006) (17)
- Thermodynamic dissection of the intercalation binding process of doxorubicin to dsDNA with implications of ionic and solvent effects. (2020) (17)
- Structural models for (Na2O)x(SiO2)1 − x glasses with periodic boundaries** (1987) (17)
- Band structures, density of states, and Fermi surfaces of KxC60, x=1,2,3,6 (1992) (17)
- Structure and bonding in a cubic phase of SiAlON derived from the cubic spinel phase of Si3N4 (2002) (16)
- First‐principles calculation of the electronic and magnetic properties of Nd2Fe17−xMx (M=Si, Ga) solid solutions (1996) (16)
- Optical properties and electronic transitions of DNA oligonucleotides as a function of composition and stacking sequence. (2015) (16)
- Elastic and electronic properties of Ti2Al(CxN1−x) solid solutions (2015) (16)
- Electronic structure of cubic and orthorhombic phases of ZrW 2 O 8 (2002) (16)
- Electron states of YAG probed by energy-loss near-edge spectrometry and ab initio calculations (1999) (16)
- Electronic structure of (Na½Bi½)TiO3 and its solid solution with BaTiO3 (2000) (16)
- Vanadium substituted 2212 and 2223 superconducting ceramics (1990) (16)
- Optical properties of a near- axis tilt grain boundary in (1996) (16)
- Electronic structure and bonding in hydroxocobalamin. (2005) (15)
- Prediction of γ‐B28 ELNES with comparison to α‐B12 (2009) (15)
- Interband Optical Conductivity of Potassium (1973) (15)
- Band theoretical investigation of the Curie temperatures of modified R2Fe17‐based intermetallic compounds (1996) (15)
- Deformation behavior of an amorphous zeolitic imidazolate framework - from a supersoft material to a complex organometallic alloy. (2018) (15)
- Direct evidence of electron spin polarization from an organic-based magnet:[FeII(TCNE)(NCMe)2][FeIIICl4] (2009) (14)
- Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virus (2020) (14)
- Electronic Energy Structure of Amorphous Silicon by the Linear Combination of Atomic Orbitals Method (1975) (14)
- Theoretical investigation of C-(A)-S-H(I) cement hydrates (2018) (14)
- Structure and electronic properties of the orthorhombic MoRuP superconductor prepared at high pressure (2003) (14)
- Electronic structure of sodium silicate glasses (1987) (14)
- Ab initio study on the adsorption mechanism of oxygen on Cr2AlC (0 0 0 1) surface (2014) (14)
- Large differences in the electronic structure and spectroscopic properties of three phases of Al P O 4 from ab initio calculations (2008) (14)
- Theoretical characterization on intrinsic ferrimagnetic phase in nanoscale laminated Cr2GeC (2013) (13)
- Electronic structure and bonding in quaternary crystal Y 3 Si 5 N 9 O (2005) (13)
- X-ray absorption near-edge structures of disordered Mg1-xZnxO solid solutions (2007) (13)
- Spin-wave modes and low-temperature specific heat in the spin-glass Eu x Sr 1-x S: x=0.54 and 0.40 (1980) (13)
- Amino acid interacting network in the receptor-binding domain of SARS-CoV-2 spike protein (2020) (13)
- Crystal structure and properties ofYSiO2N (2004) (13)
- Dielectric response variation and the strength of van der Waals interactions. (2014) (13)
- Electronic structure and Fe moment distribution in a‐Fe1−xBx glass by first‐principles calculations (1991) (13)
- Electronic structure ofCu60Zr40glass (1982) (13)
- Optical dielectric function of intrinsic amorphous silicon (1978) (13)
- Oxygen impurity states in an amorphous silicon matrix (1980) (12)
- Structural, electronic, and dielectric properties of a large random network model of amorphous zeolitic imidazolate frameworks and its analogues (2019) (12)
- Spectral mixing formulations for van der Waals-London dispersion interactions between multicomponent carbon nanotubes. (2008) (12)
- Ab initio electronic structure calculations and optical properties of ordered and disordered Ni3Al (2011) (12)
- Magnetic Properties of Ultrathin Magnetite Films Grown by Molecular Beam Epitaxy (2008) (12)
- Structure and properties of the low-density phase {iota}-Al{sub 2}O{sub 3} from first principles (2011) (12)
- Thermodynamic properties of a classical RKKY model of CuMn (1978) (12)
- Electronic structure of Nd2Fe14B (1987) (12)
- The bonding, charge distribution, spin ordering, optical, and elastic properties of four MAX phases Cr2AX (A = Al or Ge, X = C or N): From density functional theory study (2013) (12)
- Dynamics of the fcc Heisenberg antiferromagnet with nearest-neighbor interactions. II. Dilute arrays (1982) (12)
- Ab-initio Calculation of Si-K and Si-L ELNES Edges in an Extended Inactive Defect Model of Crystalline Silicon (2002) (12)
- The theory of simultaneous excitonic-superconductivity condensation (1989) (12)
- Anti-perovskite carbides and nitrides A3BX: A new family of damage tolerant ceramics (2020) (12)
- Numerical studies of spin-wave dynamics in Heisenberg spin-glasses (1981) (11)
- In search of zero thermal expansion anisotropy in Mo5Si3 by strategic alloying (2015) (11)
- Ab initio molecular dynamics simulation of Na-doped aluminosilicate glasses and glass-water interaction (2019) (11)
- Magnon contribution to the magnetic specific heat of the spin-glass Cd 0.5 Mn 0.5 Te: 0.5 K<=T<=4.5 K (1984) (11)
- Comparison of charge density distribution and electronic bonding in α-SiO2 and β-Si3N4 (1988) (11)
- Low‐temperature spin correlations and spin dynamics in diluted magnetic semiconductors (1985) (11)
- Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K2Mg (H2P2O7)2·2H2O (2017) (11)
- Computational Design of Miniproteins as SARS-CoV-2 Therapeutic Inhibitors (2022) (11)
- Oxidation of Cr2AlC (0001): Insights from Ab Initio Calculations (2013) (11)
- Computational Study of a Heterostructural Model of Type I Collagen and Implementation of an Amino Acid Potential Method Applicable to Large Proteins (2014) (11)
- Comparison of electronic structure and optical properties of BaTiO3 in the cubic and tetragonal phases (1994) (10)
- Electronic states of florinated amorphous silicon (1980) (10)
- Temperature-Dependent Properties of Molten Li2BeF4 Salt Using Ab Initio Molecular Dynamics (2021) (10)
- Static and dynamic spin correlations and exchange interactions in Cd1−xMnxTe (1986) (10)
- Calculation of spin-reorientation temperature in Nd2Fe14B (1991) (10)
- Mutations of Omicron Variant at the Interface of the Receptor Domain Motif and Human Angiotensin-Converting Enzyme-2 (2022) (10)
- Theory of simultaneous excitonic-superconductivity condensation II: Experimental evidence and stoichiometric interpretations (1989) (10)
- Dynamics of the fcc Heisenberg antiferromagnet with nearest-neighbor interactions. Fully occupied lattice (1982) (10)
- Understanding the atomic and electronic origin of mechanical property in thaumasite and ettringite mineral crystals (2018) (10)
- Orthogonalized linear combinations of atomic orbitals. II. Calculation of optical properties of polymorphs of silicon (1977) (10)
- Generalized models for spectral transfer in disordered systems (1978) (9)
- Understanding the atomistic origin of hydration effects in single and mixed bulk alkali-silicate glasses (2018) (9)
- Effect of partial site occupation on the magnetic properties of Nd2Fe17-xSix by supercell calculation (1997) (9)
- Optically anisotropic infinite cylinder above an optically anisotropic half space: Dispersion interaction of a single-walled carbon nanotube with a substrate. (2010) (9)
- Calculation of core-level excitation in some MAX-phase compounds (2013) (9)
- First-Principles Simulation of Dielectric Function in Biomolecules (2021) (9)
- Anderson localization in ruby (1982) (9)
- Propagating modes in a three-dimensional planar model of a classical spin glass (1979) (9)
- Prediction of ferromagnetic cubic spinel phase of Fe3N4 (2002) (9)
- Ab initio calculations of thermomechanical properties and electronic structure of vitreloy Z r 41.2 T i 13.8 C u 12.5 N i 10 B e 22.5 (2016) (9)
- Electronic structure of SixGe1−x semiconductor solid solutions (1985) (8)
- Structure and Properties of Advanced Nitrides (2004) (8)
- An effective dipole model for predicting band offsets in semiconductor heterojunctions (1986) (8)
- Solvent Effect on the Structure and Properties of RGD Peptide (1FUV) at Body Temperature (310 K) Using Ab Initio Molecular Dynamics (2021) (8)
- Prediction of the X‐ray absorption near edge structure of the new high‐density phase of SiO2 (2005) (8)
- Ab initio study of hydrolysis effects in single and ion-exchanged alkali aluminosilicate glasses. (2020) (8)
- Spectroscopic properties of crystalline elemental boron and the implications on B11C–CBC (2013) (8)
- Electronic structure of metallic glasses: CuZr2 (1982) (8)
- Collective excitations in a planar model of a classical spin glass (1980) (8)
- Monte Carlo studies of the internal energy and specific heat of a classical Heisenberg spin glass (1976) (8)
- Electronic Structure and Bonding in Crystalline Y10[SiO4]6N2 (2003) (8)
- Ab-initio Calculation of Yttrium Substitutional Impurities in alpha-Al2O3 (2005) (8)
- Comparative study of the electronic structure of ternary superconductors MoRuP and ZrRuP in the orthorhombic and hexagonal phases (2003) (8)
- Interfacial interaction between Suolunite Crystal and Silica Binding Peptide for Novel Bio-inspired Cement. (2019) (7)
- First-principles calculation of lattice distortions in four single phase high entropy alloys with experimental validation (2021) (7)
- DFT Study of Electronic Structure and Optical Properties of Kaolinite, Muscovite, and Montmorillonite (2021) (7)
- Spectroscopic imaging of electron energy loss spectra using ab initio data and function field visualization. (2009) (7)
- Electronic structure of Y2Fe14B (1986) (7)
- Atomic-level insights into the influence of zinc incorporation on clinker hydration reactivity (2020) (7)
- Magnetic moments of Co-substituted Y2Fe14B (1987) (7)
- Crystal Structure and Elastic Properties of Hypothesized MAX Phase‐Like Compound (Cr2Hf)2Al3C3 (2013) (7)
- Theoretical ELNES spectra of Si-K, Si-L, N-K, and O-K edges of an intergranular glassy film model in β-Si3N4 (2011) (7)
- Temperature dependent mechanical properties of Mo–Si–B compounds via ab initio molecular dynamics (2013) (7)
- Yttrium-Segregated Grain Boundaries in α-Al2O3: An EELS Study (1998) (7)
- Thermodynamics of simultaneous-excitonic-superconductivity condensate (1988) (7)
- Spectral analysis of the electronic structure of γ-B28 (2011) (6)
- Electronic structures of crystalline Ni3P and amorphous Ni75P25 (1985) (6)
- Electronic structure of microporous titanosilicate ETS-10 (1997) (6)
- Electronic structure of Nd2Fe17N (1993) (6)
- Unraveling the effects of linker substitution on structural, electronic and optical properties of amorphous zeolitic imidazolate frameworks-62 (a-ZIF-62) glasses: a DFT study (2020) (6)
- Delta Variant with P681R Critical Mutation Revealed by Ultra-Large Atomic-Scale Ab Initio Simulation: Implications for the Fundamentals of Biomolecular Interactions (2021) (6)
- INTERBAND OPTICAL CONDUCTIVITY OF Bi2CaSr2Cu2O8 (1989) (6)
- Prediction of a high‐density phase of SiO2 with a high dielectric constant (2005) (6)
- Spin diffusion in a Heisenberg spin glass (1977) (6)
- Metallic Ternary Telluride with Sphalerite Superstructure. (2016) (6)
- Distribution of iron moments in a-Fe glass by first-principles spin-polarized calculations (1991) (6)
- Density functional calculations of the electronic structure and optical properties of the ternary carbides Al4SiC4 and Al4Si2C5 (2008) (6)
- Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations (2021) (6)
- Effects of the halogenated imidazolate linker on the fundamental properties of amorphous zeolitic imidazolate frameworks (2020) (5)
- Crystal Plasticity Modeling of Void Growth on Grain Boundaries in Ni-Based Superalloys (2019) (5)
- Electronic structure and mechanical properties of crystalline precipitate phases M23C6 (M=Cr, W, Mo, Fe) in Ni-based superalloys (2019) (5)
- Electronic structure and bonding of {beta}-SiAlON (2000) (5)
- Synthesis of monodisperse rod-shaped silica particles through biotemplating of surface-functionalized bacteria. (2020) (5)
- Materials Informatics Using Ab initio Data: Application to MAX Phases (2016) (5)
- Total Energy Calculation in α-SiO 2 and β-Si 3 N 4 (1987) (5)
- Calculation of local orbital moments of conduction electrons in Nd2Fe14B (1990) (5)
- First principles calculation of ELNES by LCAO methods (2002) (5)
- Numerical studies of collective modes in the Heisenberg-Mattis model (1979) (5)
- Conspicuous interatomic bonding in chalcogenide crystals and implications on electronic, optical, and elastic properties (2020) (5)
- Theoretical analysis of the spin‐density distributions in Y2Fe17N3 and Y2Fe17C3 (1994) (5)
- Ground state properties of dilute classical fcc Heisenberg antiferromagnets with nearest‐neighbor interactions (1981) (5)
- Effect of Delta and Omicron Mutations on the RBD-SD1 Domain of the Spike Protein in SARS-CoV-2 and the Omicron Mutations on RBD-ACE2 Interface Complex (2022) (5)
- Atomic-Scale Understanding of Structure and Properties of Complex Pyrophosphate Crystals by First-Principles Calculations (2019) (4)
- Electronic structure of Li3FeN2, a nearly half-ferromagnetic metal? (2003) (4)
- High-Resolution Spectroscopy of Bonding in a Novel BeP2N4 Compound (2014) (4)
- Calculation of interband optical conductivity of Tl 2 CaBa 2 Cu 2 O 8 and Tl 2 Ca 2 Ba 2 Cu 3 O 10 superconductors (1989) (4)
- Localized electron states in a random stacking of silicon bilayers (1984) (4)
- Photoconductivity and excited state absorption in Cr4+:Yttrium aluminum garnet (2000) (4)
- First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals (2022) (4)
- Subtle Variations of the Electronic Structure and Mechanical Properties of High Entropy Alloys With 50% Carbon Composites (2020) (4)
- Calculation of electronic and optical properties of ferroelectric NaNO2 (1992) (4)
- Zero temperature dynamic structure factor for a classical RKKY model of CuMn (1978) (4)
- A genomic approach to the stability, elastic, and electronic properties of the MAX phases (Phys. Status Solidi B 8/2014) (2014) (3)
- First-principles calculation of second harmonic generation in α-quartz (1994) (3)
- Comparative studies of electronic and magnetic structures in Y_{2}Fe_{14}B, Nd_{2}Fe_{14}B, Y_{2}Co_{14}B, and Nd_{2}Co_{14}B (1987) (3)
- First-Principles Calculation (2019) (3)
- Soft X-ray emission studies of biomaterials (2004) (3)
- Optical properties of a near-Σ 11 a axis tilt grain boundary in α-Al 2 O 3 (1996) (3)
- On the characteristics of magnetic order of Nd2Fe14B‐type compounds (1993) (3)
- Numerical studies of the low temperature spin dynamics in PdMn (10 at (1979) (3)
- Crystal structure and properties of YSiO2N (2004) (3)
- Electronic Structures of Crystalline and Amorphous Silicon Dioxide and Related Materials (1986) (3)
- An improved effective dipole theory for band lineups in semiconductor heterojunctions (1988) (3)
- Electronic structure and spin density of Gd2Fe14B (1988) (3)
- Calculation of electronic structure and optical properties of different phases of ice (1994) (3)
- Electronic structure of an associated impurity-vacancy defect in ionic crystals: V 2 + in LiF (1981) (3)
- First‐principles calculation of orbital moment distribution in amorphous Fe (1994) (3)
- Effect of disorder on the optical properties of NaNO2 (1994) (3)
- Magnetic structure and Fe moment distribution in Nd3Fe28Ti and Nd3Fe29 compounds (1997) (3)
- Double transition in calcium-123 (CaSr2Cu3Oy) superconductor (1990) (2)
- Harmonic spin dynamics in Rb2MnxCr1−xCl4 (1988) (2)
- Magnetic structure and Fe moment distribution in rare-earth iron intermetallic compounds by first-principles calculations (2000) (2)
- Molecular Dynamic and Free Energy Analysis of Doxorubicin and DNA Complex (2018) (2)
- Possibility of n-TYPE and p-TYPE Carrier Coupling in the Excitonic Enhancement Model of Superconducting Mechanism (1990) (2)
- Electronic structure and Fe moment distribution in Nd5Fe17 (2000) (2)
- Structural Models for Amorphous Transition Metal Binary Alloys (1976) (2)
- Ab initio calculation of the electronic structure and spectroscopic properties of spinel γ-Sn3N4 (2006) (2)
- Publisher's Note: Electronic structure, stacking energy, partial charge, and hydrogen bonding in four periodic B-DNA models [Phys. Rev. E 90, 022705 (2014)] (2014) (2)
- First-principles calculation of electronic structures of CuxZr1−x glass (1984) (2)
- Electronic structure of Si (111) interface between diamond and hexagonal phases (1983) (2)
- Binding Interactions between RBD of Spike-Protein and Human ACE2 in Omicron variant (2022) (2)
- Spin dynamics in Zn1−xMnxTe (1988) (2)
- Theoretical studies of defects in binary and ternary oxides (1986) (2)
- Electronic structure of Pd41Zr59 glass (1984) (2)
- Ceramic Genomics: Total Bond Order Density (2020) (2)
- Impact of BA.1, BA.2, and BA.4/BA.5 Omicron Mutations on Therapeutic Monoclonal Antibodies (2022) (2)
- Quantum Chemical Computation of Omicron Mutations Near Cleavage Sites of the Spike Protein (2022) (2)
- Anomalous absorption saturation in Cr,Mg:YAG and Cr,Ca:YAG (2000) (2)
- Role of Chemical Disorder on Radiation-Induced Defect Production and Damage Evolution in NiFeCoCr (2022) (2)
- Spin Waves in Heisenberg Spin Glasses (1977) (2)
- Numerical studies of the trapping of Frenkel excitons in one-dimensional systems (1990) (2)
- Origins and Applications of London Dispersion Interactions in Polymers and Other Materials: Electronic Structure, Optical Properties and Chemistry (2006) (1)
- Electronic Structures of Ga- and Zn- Substituted Yba2Cu3O7 Superconductors (1989) (1)
- ELECTRONIC STRUCTURE CALCULATIONS IN MAGNETIC METALLIC GLASSES (1995) (1)
- Atomic-scale Quantum Chemical Calculation of Omicron Mutations Near Cleavage Sites of the Spike Protein (2022) (1)
- An indirect probe of the possible half-metallic nature of LiFePO4 using resonant inelastic X-ray scattering (2005) (1)
- Interaction between Capsid Coat Protein and MS2 Bacteriophage SSRNA with Different Loop Motif for Virus Assembly Process (2018) (1)
- Effect of disorder on the trapping of Frenkel excitons in three-dimensional systems (1991) (1)
- First-Principles Calculations of the Structural, Electronic, Optical, and Mechanical Properties of 21 Pyrophosphate Crystals (2022) (1)
- BAND STRUCTURE AND DENSITY OF STATES OF β-SILICON NITRIDE* (1980) (1)
- X-ray fluorescence measurements of organic superconductors {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br and {kappa}-(ET){sub 2}Cu(NCS){sub 2} (1999) (1)
- NUMERICAL STUDIES OF THE COLLECTIVE EXCITATIONS OF Rb2MnxCr1-xCl4 MIXED CRYSTALS (1988) (1)
- Electronic structure of a near {Sigma}11 a-axis tilt grain boundary in {alpha}Al{sub 2}O{sub 3} (1996) (1)
- Electronic structure and optical properties of Si-containing icosahedral boron crystals (1998) (1)
- ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES OF CRYSTALLINE C60 (1992) (1)
- Orbital-charge-self-consistent calculation of electron states in tetragonal nickel phosphide (1986) (1)
- Calculation of self-energy corrected band structure of rhombohedral LiNbO3 (1995) (1)
- Electronic Structure Methods in Materials Theory (2012) (1)
- Complex nonlinear deformation of nanometer intergranular glassy films in beta-Si3N4. (2005) (1)
- Application to Semiconductors and Insulators (2012) (1)
- Theoretical and Experimental Study on Anisotropy of XANES/ELNES of Wide-Gap Materials (2004) (1)
- Theoretical studies on the electronic structure and properties of complex ceramic crystals and glasses (1990) (1)
- Microscopic theory of magnetic excitations in ferromagnets with random anisotropy axes (1988) (1)
- Oscillatory decay of exciton fluorescence following pulsed excitation of a disordered binary crystal (1992) (1)
- Monte Carlo Studies of Classical Three Dimensional Heisenberg Spin Glasses (1976) (1)
- Zero‐temperature statics of a random exchange model for the magnetic properties of La2−xSrxCuO4 (1990) (1)
- Computer simulation of the low-frequency spin dynamics in Eu x Sr 1-x S (1983) (1)
- Calculation of crystal field parameters in Nd2Fe14B using realistic energy-band results (1988) (1)
- Ab Initio Electronic Dielectric “Constant” of Proteins: A Baseline for Electrostatic Interaction in Biomolecular Systems (2021) (1)
- Origin of the existence of inter‐granular glassy films in β‐Si 3 N 4 (2019) (1)
- LARGE SCALE SIMULATIONS OF THE MECHANCIAL PROPERTIES OF LAYERED TRANSITION METAL TERNARY COMPOUNDS FOR FOSSIL ENERGY POWER SYSTEM APPLICATIONS (2011) (0)
- Electronic structure calculation on rare earth iron boron intermetallic compounds (1986) (0)
- Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional Theory (2023) (0)
- Harmonic Magnons in Spin Glasses: Cd0.35Mn0.65Te (1987) (0)
- Application to Core Level Spectroscopy (2012) (0)
- Magnetic Specific Heat of Cd 1−x Mn x Te at Low Temperatures and High Magnetic Fields (1986) (0)
- Theoretical Studies on the Electronic Structures and Properties of Complex Ceramic Crystals and Novel Materials (2012) (0)
- Local Density Calculation of the Optical Properties of Insulators (1996) (0)
- Basic Theory and Techniques of the OLCAO Method (2012) (0)
- PERIODIC STRUCTURAL MODELS AND RADIAL DISTRIBUTION FUNCTIONS OF SiOX: x=0. to 2. (1980) (0)
- Electronic states of an isolated phosphorus atom in an amorphous silicon matrix (2008) (0)
- Atomistic Insights into Hydration Reactivity of Clinker Crystals with Chemical Impurity (2019) (0)
- Electronic structure and magnetic moments of Y/sub 2/Fe/sub 14/B (1986) (0)
- Ab initio calculations of thermomechanical properties and electronic structure of vitreloy Z r41.2 T i13.8 C u12.5 N i10 B e22.5 (2020) (0)
- Theoretical studies on the electronic structure and properties of complex ceramic crystals and glasses. Annual progress report, July 1, 1991--June 30, 1992 (1991) (0)
- Calculation of Physical Properties Using the OLCAO Method (2012) (0)
- Dependence of the strength of van der Waals interactions on the details of the dielectric response variation (2014) (0)
- (Cr2Hf)2Al3C3 - a proposed template for a new group of MAX-like materials (2013) (0)
- Retraction: “The bonding, charge distribution, spin ordering, optical, and elastic properties of four MAX phases Cr2AX (A = Al or Ge, X = C or N): From density functional theory study” [J. Appl. Phys. 114, 183503 (2013)] (2014) (0)
- ImpactofHydrogen Bonding in the Binding Site between Capsid Protein and MS 2 Bacteriophage ssRNA (2017) (0)
- Cell modeling and assay development for Krabbe disease (2020) (0)
- Realistic Calculation of the Second Order Nonlinear Susceptibility Tensor in Cubic Semiconductors (1989) (0)
- Historical Account of the LCAO Method (2012) (0)
- First-Principles Calculation of Electronic, Optical, and Structural Properties of α-Al2O3 (1994) (0)
- Title Prediction of the new spinel phase of Ti 3 N 4 , and SiTi 2 N 4 andthe metal-insulator transition (2018) (0)
- 2D-ACAR Studies of ET-Based Organic Superconductors (1997) (0)
- Spectral imaging for characterization of complex defect structures using ab initio ELNES (2011) (0)
- Application of semi-ab initio method of band structure calculation to semiconductor superlattices (1985) (0)
- Band structure and density of states of. beta. -silicon nitride (1980) (0)
- First-principles Calculation of the Optical Properties of Cr ystalline Poly(di-n-hexylsilane) (1996) (0)
- Supercell calculation on the ideal silicon single vacancy (1986) (0)
- First-principles investigation of the optical properties of crystalline polyÑdi-n-hexylsilaneÖ (1996) (0)
- Optical Properties and van der Waals-London Dispersion Interactions in Inorganic and Biomolecular Assemblies (2014) (0)
- Chemical Bonding Analysis of AlN Polytypes by ELNES (2002) (0)
- Application to Non-Crystalline Solids and Liquids (2012) (0)
- Electronic and Dielectric Properties of Zr_xSi_2-xO_4 (2003) (0)
- Erratum: “Structure and properties of spinel Fe3N4 and comparison to zinc blende FeN” [Appl. Phys. Lett. 80, 2904 (2002)] (2002) (0)
- Electronic structure and spin‐density distribution in Y2Fe17 (abstract) (1994) (0)
- Ab Initio Simulation of Structure and Properties in Ni-Based Superalloys: Haynes282 and Inconel740 (2023) (0)
- van der Waals Interactions on the Mesoscale : Open-Science Implementation , Anisotropy , Retardation , and Solvent E ff ects (2015) (0)
- Total Bond Order Density as a Quantum Mechanical Metric for Materials Design: Application to Chalcogenide Crystals (2019) (0)
- Application to Crystalline Metals and Alloys (2012) (0)
- Positron Annihilation Studies of Organic Superconductivity (1994) (0)
- Electronic Structure of the Hydroxyl- and Fluor-apatite Bioceramics (2002) (0)
- Structural model for sodium silicate glass (1986) (0)
- Theoretical differences in fractional charge flux quantization between the anion model and the excitonic enhancement model for high Tc superconductivity (1989) (0)
- Application to Impurities, Defects, and Surfaces (2012) (0)
- Optical properties of a near-Sigma-11 a axis tilt grain boundary in alpha-Al2O3 (1996) (0)
- Ab initio calculations of thermomechanical properties and electronic structure of vitreloy (2016) (0)
- Ab initio Total Energy Calculation of α- and β-Silicon Nitride and the Derivation of Effective Pair Potentials with Application to Lattice Dynamics. (1999) (0)
- CaO・Al2O3系の電子構造,機械的および光学的性質:第一原理法 (2016) (0)
- Simulation of the optical spectra of disordered Frenkel excitonic systems by equation-of-motion techniques: Results for one dimension (1990) (0)
- Synopsis of the thirty-third annual midwest solid state conference (1986) (0)
- Electronic Structure and Glass Forming Ability in Bulk Metallic Glasses (2012) (0)
- Multi-modal Approach to Modeling Creep Deformation in Nickel-base Superalloy (2022) (0)
- Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications (2014) (0)
- Application to Complex Crystals (2012) (0)
- Electronic and Optical Properties of theta alumina with Comparison to alpha alumina (1998) (0)
- Proceedings of the 6th Joint Magnetism and Magnetic Materials Intermag Conference (1994) (0)
- Electronic energy states of amorphous and polycrystalline silicon (2008) (0)
- Half-metallicity in the ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O: Ab initio study (2013) (0)
- Thanks to 2012 Reviewers (2013) (0)
- Unveil surface stability and oxygen diffusion of rare‐earth zirconate pyrochlores by density functional theory (2022) (0)
- AB INITIO Modeling of Thermomechanical Properties of Mo-Based Alloys for Fossil Energy Conversion (2013) (0)
- Correction: Unraveling the effects of linker substitution on structural, electronic and optical properties of amorphous zeolitic imidazolate frameworks-62 (a-ZIF-62) glasses: a DFT study (2020) (0)
- Abstract: Numerical studies of the low temperature behavior of a three dimensional planar model of a classical spin glass (1979) (0)
- Publisher's Note: Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite [Phys. Rev. B 70 , 155104 (2004)] (2004) (0)
- Ab-initio calculation of Si-K and Si-L ELNES edges in an extended inactive defect model of crystalline silicon : Special issue on grain boundaries, interfaces, defects and localized quantum structures in ceramics (2002) (0)
- Electronic and structural properties of bulk {gamma}-Al{sub 2}O{sub 3} (1997) (0)
- Sytemmatic Construction of Large Periodic Structural Models for Covalent glasses and Interfaces (1997) (0)
- Electronic structure, mechanical, and optical properties of CaO·Al2O3 system: a first principles approach (2016) (0)
- Application to Biomolecular Systems (2012) (0)
- Supplementary material from "Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K 2 Mg (H 2 P 2 O 7 ) 2 ·2H 2 O" (2017) (0)
- Enhancement and Extension of the OLCAO Method (2012) (0)
- Comparative Study of Electronic and Optical Properties of AlN, γ -Al_2O_3, and Alumina Oxynitride (AlON) (1997) (0)
- Oxidation of Cr2AlC (0001): Insights from Ab Initio Calculations (2013) (0)
- Ab-initio calculation of yttrium substitutional impurities in {alpha}-Al{sub 2}O{sub 3} (1997) (0)
- Electronic Structure of Fluorine-Substituted YBa 2 Cu 3 O 7 Superconductor (1987) (0)
- Giant replicate cell approach to the electronic structure calculation of graded interface regions (1982) (0)
- Application of band theoretical results to ceramic superconductors (1991) (0)
- Next Generation Neutron Detection for Next Generation Nuclear Reactors (2009) (0)
- Comparative Studies of the Energetic and Properties of gamma-GeSi2N4 and gamma-SiGe2N4 in the Spinel Structure (2005) (0)
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