Ab initio calculations and a scratch test study of RF-magnetron sputter deposited hydroxyapatite and silicon-containing hydroxyapatite coatings - ScienceDirect
Large-scale ab initio calculations of archetypical ionic liquids - Chemical Communications (RSC Publishing)
Ab Initio Methods | Max-Planck-Institut für Kohlenforschung
What is Ab-initio Calculation - How to Real Success
Buy Ab Initio Calculations: Methods and Applications Book Online at Low Prices in India | Ab Initio Calculations: Methods and Applications Reviews & Ratings - Amazon.in
Ab Initio Calculations: Methods and Applications in Chemistry: 16 (Lecture Notes in Chemistry) : Carsky, Petr, Urban, Miroslav: Amazon.es: Libros
Ab Initio Calculations of Free Energy of Activation at Multiple Electronic Structure Levels Made Affordable: An Effective Combination of Perturbation Theory and Machine Learning | Journal of Chemical Theory and Computation
Molecules | Free Full-Text | Ab Initio Calculations of Possible γ-Gauche Effects in the 13C-NMR for Methine and Carbonyl Carbons in Precise Polyethylene Acrylic Acid Copolymers
UNEDF: Research Areas
Ab initio calculations
Highly Accurate Spectroscopic Parameters from Ab Initio Calculations: The Interstellar Molecules l-C3H+ and C4 | SpringerLink
Potential Dependence of Electrochemical Barriers from ab initio Calculations | Center for Interface Science and Catalysis
Accurate and fast self-consistent ab initio calculations for correlated-electron materials | Ames Laboratory
Identifying the Marcus dimension of electron transfer from ab initio calculations | Inorganic Chemistry | ChemRxiv | Cambridge Open Engage
Prediction of Alkanolamine pKa Values by Combined Molecular Dynamics Free Energy Simulations and ab initio Calculations | Theoretical and Computational Chemistry | ChemRxiv | Cambridge Open Engage
6 Calculated structure factor based on ab initio calculations used to... | Download Scientific Diagram
Ab initio multi-physics
Optimizing configurations for determining the magnetic model based on ab initio calculations - ScienceDirect
Diatomic Molecules: Results of ab Initio Calculations : Mulliken, Robert S.: Amazon.es: Libros
PDF) Ab initio calculation of the electronic and optical properties of solid pentacene | Murilo Tiago - Academia.edu
Overview of First-Principles (ab initio) calculation | CAE Solutions - JSOL Corporation
Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue - Chemical Communications (RSC Publishing)
