Keyword [ab initio] Result: 161 - 180 | Page: 9 of 10 161.  Improvement of ab initio methods of gene prediction in genomic and metagenomic sequences 162.  Ab initio nuclear shell model calculations of some light nuclei with a three-nucleon force 163.  Pressure induced phase transformatrion of tin dioxide an ab initio constant pressure study 164.  Ab-initio and model studies of spin fluctuation effects in transport and thermodynamics of magnetic metals 165.  Quantum virial coefficients via path integral Monte Carlo: Theory and development of novel algorithms 166.  Application of a cyclic periodic wave function method to selected infinitely periodic systems 167.  Ab initio studies of systems containing actinides using relativistic effective core potentials 168.  Ab initio scattering from random discrete charges and its impact on the intrinsic parameter fluctuations in nano-CMOS device 169.  Photodissociation studies using velocity ion imaging method, and, High-level ab initio calculations of molecular energetic and spectroscopic properties and benchmarking with experiments 170.  Protein structure modelling aided by X-ray scattering and crystallographic measurements 171.  The long-range Coulombic interactions in ab initio based QM/MM methods 172.  Simulation methods in chemical physics: Monte Carlo and ab initio studies 173.  The application of midbond basis sets in efficient and accurate ab initio calculations on electron-deficient systems 174.  Gene annotation using ab initio protein structure prediction: Method, development and application to major protein families 175.  Development of a spinor ab initio pseudopotential method and its application to spintronic materials 176.  Ab initio quantum molecular dynamics method based on the restricted-path integral: Application to electron plasma and an alkali metal 177.  Deciphering the protein folding code: Ab initio prediction of protein structure 178.  Systematic improvements of ab-initio in-medium similarity renormalization group calculations 179.  Mixed ab initio quantum mechanics/molecular mechanics methods using frozen orbitals with applications to peptides and proteins 180.  Ab initio quantum chemical study electron transfer processes in the photosynthetic reaction center and scanning tunneling microscopy   <<First  <Prev  Next>  Last>>  Jump to

Globe Thesis Copyright © 2023. All Rights Reserved. | Privacy | Copyright | Contribute | About | Contact | RSS