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List of works by Wai-Yim Ching

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Long range interactions in nanoscale science

article
Grain boundary strengthening in alumina by rare earth impurities

scientific article published in January 2006
Accurate redetermination of the X-ray structure and electronic bonding in adenosylcobalamin

scientific article published in February 2004
Electronic, structural, and optical properties of crystalline yttria

scientific article
Theoretical nonlinear response of complex single crystal under multi-axial tensile loading

scientific article published on January 1, 2013
Quantum Mechanical Metric for Internal Cohesion in Cement Crystals

scientific article published on December 5, 2014
Electronic structure, dielectric response, and surface charge distribution of RGD (1FUV) peptide

scientific article published on 8 July 2014
Optical properties and electronic transitions of DNA oligonucleotides as a function of composition and stacking sequence

scientific article published on February 2015
Dependence of DNA electronic structure on environmental and structural variations

scientific article published in August 2006
van der Waals Interactions on the Mesoscale: Open-Science Implementation, Anisotropy, Retardation, and Solvent Effects

scientific article
X-ray absorption near edge structure/electron energy loss near edge structure calculation using the supercell orthogonalized linear combination of atomic orbitals method

scientific article published on February 10, 2009
Electronic structure and physical properties of the spinel-type phase of BeP2N4from all-electron density functional calculations

scholarly article in Physical Review B, vol. 83 no. 15, April 2011
Atomic picture of elastic deformation in a metallic glass

scientific article published on March 17, 2015
Electronic structure of a grain-boundary model inSrTiO3

scientific article published on 15 July 1999
Dielectric response variation and the strength of van der Waals interactions

scientific article published on 20 November 2013
The electronic structure and spectroscopic properties of 3C, 2H, 4H, 6H, 15R and 21R polymorphs of SiC

Optically anisotropic infinite cylinder above an optically anisotropic half space: Dispersion interaction of a single-walled carbon nanotube with a substrate

scientific article
Ab initio simulation of elastic and mechanical properties of Zn- and Mg-doped hydroxyapatite (HAP)

scientific article published on April 1, 2015
Implication of the solvent effect, metal ions and topology in the electronic structure and hydrogen bonding of human telomeric G-quadruplex DNA.

scientific article published on 18 July 2016
Electronic structure of aluminum nitride: Theory and experiment

article
Electronic structures, total energies, and optical properties of alpha -rhombohedral B12 and alpha -tetragonal B50 crystals

scientific article
Calculating van der Waals-London dispersion spectra and Hamaker coefficients of carbon nanotubes in water from ab initio optical properties

article
High sensitivity of the positron-density distribution to the K doping in C60.

scientific article
Molecular mechanism and binding free energy of doxorubicin intercalation in DNA

scientific article published on 01 February 2019
van der Waals–London dispersion interactions for optically anisotropic cylinders: Metallic and semiconducting single-wall carbon nanotubes

article
Spectroscopic imaging of electron energy loss spectra using ab initio data and function field visualization

scientific article
Electronic structure and partial charge distribution of Doxorubicin in different molecular environments

scientific article published on 27 February 2015
Impact of Hydrogen Bonding in the Binding Site between Capsid Protein and MS2 Bacteriophage ssRNA.

scientific article published on 5 June 2017
Disentangling the Effects of Shape and Dielectric Response in van der Waals Interactions between Anisotropic Bodies

article
The Hydration Effect and Selectivity of Alkali Metal Ions on Poly(ethylene glycol) Models in Cyclic and Linear Topology

scientific article published on 29 May 2017
Interfacial Interaction between Suolunite Crystal and Silica Binding Peptide for Novel Bioinspired Cement

scientific article published on 19 November 2019
Ab Initio Modeling of Structure and Properties of Single and Mixed Alkali Silicate Glasses

scientific article published on 20 September 2017
High-resolution spectroscopy of bonding in a novel BeP2N4 compound

scientific article published on 3 April 2014
Dispersion interactions between optically anisotropic cylinders at all separations: Retardation effects for insulating and semiconducting single-wall carbon nanotubes

article
Spectral mixing formulations for van der Waals-London dispersion interactions between multicomponent carbon nanotubes

scientific article published on 10 September 2008
Chirality-dependent properties of carbon nanotubes: electronic structure, optical dispersion properties, Hamaker coefficients and van der Waals–London dispersion interactions

article
Critical point analysis of the interband transition strength of electrons

article
Optical properties of a near- axis tilt grain boundary in

article
Charge distribution and hydrogen bonding of a collagen α2 -chain in vacuum, hydrated, neutral, and charged structural models

article
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

scientific article published on 3 September 2022
Structure and Electronic Properties of a Continuous Random Network Model of an Amorphous Zeolitic Imidazolate Framework (a-ZIF)

Binding Interactions between Receptor-Binding Domain of Spike Protein and Human Angiotensin Converting Enzyme-2 in Omicron Variant

scientific article published on 28 April 2022
First-Principles Calculations of the Structural, Electronic, Optical, and Mechanical Properties of 21 Pyrophosphate Crystals

scientific article published in 2022
Dependence of the strength of van der Waals interactions on the details of the dielectric response variation

article
Metallic Ternary Telluride with Sphalerite Superstructure

Polarity-Controlled Attachment of Cytochrome C for High-Performance Cytochrome C/Graphene van der Waals Heterojunction Photodetectors

Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional Theory

scientific article published on 10 February 2023
Intra- and intermolecular atomic-scale interactions in the receptor binding domain of SARS-CoV-2 spike protein: implication for ACE2 receptor binding

scientific article published on 05 August 2020
Deformation behavior of an amorphous zeolitic imidazolate framework - from a supersoft material to a complex organometallic alloy

scientific article published on 01 November 2018
Optical Properties and van der Waals-London Dispersion Interactions in Inorganic and Biomolecular Assemblies

article

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