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List of works by Daniel Crawford

"New Physical Insights" in Theoretical and Computational Studies.

scientific article published in July 2017

Antiplasmodial Sesquiterpenoid Lactones from Trichospira verticillata: Structure Elucidation by Spectroscopic Methods and Comparison of Experimental and Calculated ECD Data.

scientific article

Basis Set Dependence of Coupled Cluster Optical Rotation Computations ⬇️

scientific article published on August 15, 2011

Basis Set Superposition Errors in the Many-Body Expansion of Molecular Properties

scientific article published on 13 May 2019

Calculating Optical Rotatory Dispersion Spectra in Solution Using a Smooth Dielectric Model

scientific article published on 22 October 2018

Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry A

scientific article published on 01 June 2020

Diagrammatic Coupled Cluster Monte Carlo

scientific article published on 14 February 2019

Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory

scientific article published on 2 October 2017

Frozen Virtual Natural Orbitals for Coupled-Cluster Linear-Response Theory.

scientific article published on 3 January 2017

Localized optimized orbitals, coupled cluster theory, and chiroptical response properties ⬇️

scientific article published on April 30, 2012

PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster Linear Response Theory

scientific article published on 22 December 2020

Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory

scientific article published on 03 July 2018

Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science

scientific article published on 01 November 2018

Phloroglucinols from the Roots of Garcinia dauphinensis and Their Antiproliferative and Antiplasmodial Activities

article

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

scientific article

Psi4 1.4: Open-source software for high-throughput quantum chemistry

scientific article published on 01 May 2020

Psi4: an open-source ab initio electronic structure program

article

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

scientific article

Python scripting for biochemistry and molecular biology in Jupyter Notebooks

scientific article published in 2022

Role of Long-Range Intermolecular Forces in the Formation of Inorganic Nanoparticle Clusters ⬇️

scientific article published on September 22, 2011

Symmetry breaking in the cyclic C(3)C(2)H radical

scientific article published on October 26, 2010

The JPC Periodic Table

scientific article published on 01 July 2019

The JPC Periodic Table

article by George C. Schatz et al published 1 July 2019 in Journal of Physical Chemistry A

The JPC Periodic Table

scientific article published on 18 July 2019

The JPC Periodic Table

The optical activity of carvone: A theoretical and experimental investigation ⬇️

scientific article published on March 21, 2012

Theoretical prediction of new dipole-bound singlet states for anions of interstellar interest ⬇️

scientific article published on April 21, 2011

Theory and implementation of a novel stochastic approach to coupled cluster

scientific article published on 01 October 2020

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