Amanote Research
Register
Sign In
Refining Crystal Structures With Quadrupolar NMR and Dispersion-Corrected Density Functional Theory
doi 10.1021/acs.jpcc.7b12314.s001
Full Text
Open PDF
Abstract
Available in
full text
Date
Unknown
Authors
Unknown
Publisher
American Chemical Society (ACS)
Related search
Density Functional Theory of Freezing: Analysis of Crystal Density
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Problems, Successes and Challenges for the Application of Dispersion-Corrected Density-Functional Theory Combined With Dispersion-Based Implicit Solvent Models to Large-Scale Hydrophobic Self-Assembly and Polymorphism
Molecular Simulation
Materials Science
Information Systems
Condensed Matter Physics
Simulation
Chemical Engineering
Modeling
Chemistry
Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study
Ferroelectric Fatigue in Layered Perovskites From Self-Energy Corrected Density Functional Theory
RSC Advances
Chemistry
Chemical Engineering
Prediction of 89Y NMR Chemical Shifts in Organometallic Complexes With Density Functional Theory
Multicomponent Density Functional Theory With Density Fitting
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Correcting for Dispersion Interaction and Beyond in Density Functional Theory Through Force Matching
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Self-Interaction-Corrected Time-Dependent Density-Functional-Theory Calculations of X-Ray-Absorption Spectra
Physical Review A
Density Functional Theory
Photosynthesis Research
Medicine
Biochemistry
Plant Science
Cell Biology