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Browsing by Author Ayers, Paul W.
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Showing results 1 to 14 of 14
Publication Date
Title
Author(s)
Nov-2017
Accurate Calculations of Nonlinear Optical Properties Using Finite Field Methods
Mohammed, Ahmed A. K.
2019
Comparative Study of Population Analysis Methods With Quasi Atomic-Orbitals
Dikmenli, Kumru
Oct-2011
Computational approaches to predicting and characterising chemical and biochemical processes
Liu, Yuli
Oct-2013
COMPUTATIONAL APPROACHES TO PROTONATION AND DEPROTONATION REACTIONS FOR BIOLOGICAL MACROMOLECULES AND SUPRAMOLECULAR COMPLEXES
mohammed, ahmed
Apr-2012
Computing the Kinetic Energy from Electron Distribution Functions
Chakraborty, Debajit
2019
Conformer Searching
Garner, Jennifer H.
May-2008
Efficient Grid-Based Techniques for Density Functional Theory.
Rodriguez-Hernandez, Juan I.
Nov-2010
From wavefunctions to chemical reactions
Anderson, James
Oct-2012
The Mixed State of a $\pi$-Striped Superconductor
Zelli, Mirsaeed
Jun-2015
Model Wavefunction Forms to Describe Strong Correlation in Quantum Chemistry
Johnson, Paul Andrew
2021
New Strategies for Kinetic Energy Density Functionals
Huang, Xiaomin
2014
New Transition-State Optimization Methods By Carefully Selecting Appropriate Internal Coordinates
Rabi, Sandra
2018
Systematic improvement of approximations with smooth models of the Coulomb potential
Gonzalez Espinoza, Cristina Elizabeth
Oct-2012
Weighted Density Approximations for Kohn-Sham Density Functional Theory
Cuevas-Saavedra, Rogelio