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西华大学高分子物理英文课件Chapter2 Molecular sizes and shapes and ordered structure
西华大学 高分子物理 英文课件 Chapter2 Molecular sizes shapes ordered structure
2019/11/29
西华大学高分子物理英文课件Chapter2 Molecular sizes and shapes and ordered structure。
21st European Symposium on Quantitative Structure-Activity Relationship
Big Data Analysis Precision Medicine
2016/7/26
The EuroQSAR Symposia have been taking place since 1973 and constitute major scientific events in the field of computational drug design, with further applications in agricultural and environmental sc...
Studies of the Electronic Structure of Metallocene-based Second-order Non-linear Optical Dyes
Electronic Structure Metallocene Second-order Non linear Optical Dyes
2016/5/23
This paper describes a simple orbital picture for understanding the optical transitions and the second-order nonlinear optical response of metallocene-based chromophores of the form metallocene-(pi-br...
Multi-nuclear NMR Studies of DNA Hairpins:1. Structure and Dynamics of d(CGCGTTGTTCGCG)
GERMANIUM DETERMINATION HYDRIDE GENERATION INDUCTIVELY COUPLED PLASMA EMISSION SPECTROMETRY MEDICINAL PLANT
2016/5/20
The solution structure of the hairpin formed by d(CGCGTTGTTCGCG) has been examined in detail by a wide variety of NMR techniques. The hairpin was characterized by proton NMR to obtain interproton dist...
Structure-Based Analysis of the Initial Electron Transfer Step in Bacterial Photosynthesis: Electric Field Induced Fluorescence Anisotropy
Fluorescence Electric fields Electron transfer Transfer reactions Anisotropy
2016/5/20
The fluorescence intensity from randomly oriented, immobilized Rb. sphaeroides reaction centers at 77 K increases in the presence of an externally applied electric field. We have proposed that this in...
Template-Induced Structure Transition in Sub-10 nm SelfAssembling Nanoparticles
Directed self-assembly template-assisted self-assembly structure transition gold nanoparticles sub-10 nm patterning electron-beam lithography
2014/9/24
We report on the directed self-assembly of sub-10 nm gold nanoparticles confined within a template comprising channels of gradually varying widths. When the colloidal lattice parameter is mismatched w...
The structure of colloidosomes with tunable particle density: simulation vs experiment
Colloidosome Monte Carlo simulation scanning electron microscopy radial distribution function
2012/5/29
Colloidosomes are created in the laboratory from a Pickering emulsion of water droplets in oil. The colloidosomes have approximately the same diameter and by choosing (hairy) particles of different di...
Assessment of density functional approximations for the hemibonded structure of water dimer radical cation
Assessment of density functional approximations hemibonded structure water dimer radical cation Chemical Physics
2012/4/20
Due to the severe self-interaction errors associated with some density functional approximations, conventional density functionals often fail to dissociate the hemibonded structure of water dimer radi...
Tracing the structure of asymmetric molecules from high-order harmonic generation
Tracing the structure asymmetric molecules high-order harmonic generation
2014/5/28
We investigate high-order harmonic generation (HHG) from asymmetric molecules exposed to intense laser fields. We show that the emissions of odd and even harmonics depend differently on the orientatio...
A new parametrizable model of molecular electronic structure
parametrizable molecular electronic structure
2011/9/6
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over a...
Structure and Magnetism of Co-implanted TiO2
Nanocomposite Ferromagnetic material Ion implantation
2012/4/5
Crystalline Co nanocomposites in the rutile TiO2 were synthesized by 180 keV Co ion beam implantation at temperature of 623 K with the fluence of 4×1016 cm-2. The structural and magnetic properties of...
Transient photoluminescence enhancement as a probe of the structure of impurity-trapped excitons in CaF$_2$:Yb$^{2+}$
photoluminescence enhancement impurity-trapped excitons Materials Science
2011/8/17
Abstract: We demonstrate a direct measurement of the energy levels of impurity-trapped excitons in CaF$_2$:Yb$^{2+}$. The radically different radiative decay rates of the lowest exciton state and high...
FEAST fundamental framework for electronic structure calculations
fundamental framework electronic structure calculations
2011/9/14
In a recent article [1], FEAST has been presented as a general purpose eigenvalue algorithm which is ideally suited for addressing the numerical challenges in electronic structure calculations.Here, F...
Evaluation of nano-frictional and mechanical properties of a novel Langmuir-Blodgett monolayer/self-assembly monolayer composite structure
nano-frictional monolayer/self-assembly monolayer composite structure
2011/9/13
A novel stearic acid (SA)/3-aminopropyltrethoxysilane (APS) composite structure was fabricated using the combined method of the Langmuir–Blodgett technique and self-assembly monolayer (SAM) technique....
XAFS Study of Coordination Structure of Cu(L-His)2 in Solution
X-ray absorption fine structure Coordination structure Copper Histidine Chemical modification pH
2012/4/5
Multiple coordination modes are present in the CuII-histidine complex in solution and the copper coordination environment varies with pH. In this work, we have investigated the coordination geometry o...