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Quantum Chemistry Calculations of Energetic and Spectroscopic Properties of p- and f-Block Molecules
Theoretical Analysis of Drug Analogues and VOC Pollutants
The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations
Accurate Energetics Across the Periodic Table Via Quantum Chemistry
Computational Modeling of Small Molecules
The Impact of Computational Methods on Transition Metal-containing Species
Application of the Correlation Consistent Composite Approach to Biological Systems and Noncovalent Interactions
Transition Metal Catalyzed Oxidative Cleavage of C-O Bond
Kinetic Investigation of Atomic Hydrogen with Sulfur-Containing Species
From Development of Semi-empirical Atomistic Potentials to Applications of Correlation Consistent Basis Sets
Ab Initio and Density Functional Investigation of the Conformer Manifold of Melatonin and a Proposal for a Simple Dft-based Diagnostic for Nondynamical Correlation
Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods
Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation
Kinetics of Sulfur: Experimental Study of the Reaction of Atomic Sulfur with Acetylene and Theoretical Study of the Cn + So Potential Energy Surface
Thermochemistry Investigations Via the Correlation Consistent Composite Approach
Knowledge Discovery of Nanotube Mechanical Properties With an Informatics-Molecular Dynamics Approach
The Multi-reference Correlation Consistent Composite Approach: A New Vista In Quantitative Prediction Of Thermochemical And Spectroscopic Properties
Accuracy and Efficiency in Computational Chemistry: The Correlation Consistent Composite Approach
Advancements in Instrumentation for Fourier Transform Microwave Spectroscopy
Photophysics and Photochemistry of Copper(I) Phosphine and Collidine Complexes: An Experimental/Theoretical Investigation
Chirped-Pulse Fourier Transform Microwave Spectroscopy of Fluoroiodoacetonitrile and Chloropentafluoroacetone
Systematic Approaches to Predictive Computational Chemistry using the Correlation Consistent Basis Sets
Quantum Perspectives on Physical and Inorganic Chemistry
Computational Studies on Group 14 Elements (C, Si and Ge) in Organometallic and Biological Compounds.
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