L. A. Burns

发表

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

Zachary L Glick, Dominic A Sirianni, Jonathan M Waldrop, 2020, The Journal of chemical physics.

High-resolution infrared spectra of the C-H asymmetric stretch vibration of jet-cooled methoxy radical (CH3O)

R. Curl, L. Burns, Y. Utkin, 2002 .

The MolSSI QCArchive project: An open‐source platform to compute, organize, and share quantum chemistry data

Levi N. Naden, Benjamin P. Pritchard, Daniel G. A. Smith, 2020, WIREs Computational Molecular Science.

Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory.

Dominic A Sirianni, Daniel G. A. Smith, D. Cheney, 2021, The Journal of chemical physics.

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

Dominic A Sirianni, Jonathan M Waldrop, Andrew C. Simmonett, 2018, Journal of chemical theory and computation.

Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory.

Daniel G. A. Smith, C. Sherrill, L. Burns, 2020, The Journal of chemical physics.

Investigation of electronic structure and proton transfer in ground state acetylacetone

P. Vaccaro, L. A. Burns, S. A. Broadbent, 2007 .

An Error and Efficiency Analysis of Approximations to Møller−Plesset Perturbation Theory

J. Brédas, C. Sherrill, Michael S. Marshall, 2010 .

Co(III) complexes of tetradentate X 3 L type ligands: Synthesis, electronic structure, and reactivity

Christopher W. Jones, C. Sherrill, C. R. Murdock, 2015 .

Counterion and substrate effects on barrier heights of the hydrolytic kinetic resolution of terminal epoxides catalyzed by Co(III)-salen.

C. Sherrill, M. Kennedy, L. A. Burns, 2015, The journal of physical chemistry. A.

Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions.

Lori A Burns, C David Sherrill, Michael S Marshall, 2014, Journal of chemical theory and computation.

Redox-linked conformational control of proton-coupled electron transfer: Y122 in the ribonucleotide reductase β2 subunit.

C. Sherrill, L. Burns, A. Offenbacher, 2013, The journal of physical chemistry. B.

Density-functional approaches to noncovalent interactions: a comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals.

B. Sumpter, Á. Vázquez-Mayagoitia, C. Sherrill, 2011, The Journal of chemical physics.

High-resolution infrared spectroscopic determination of the nν5±n vibrational energies of HCCN and DCCN

R. Curl, N. T. Hunt, L. A. Burns, 2001 .

Psi4: an open‐source ab initio electronic structure program

Matthew L. Leininger, Henry F. Schaefer, T. Daniel Crawford, 2012 .

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

Xiao Wang, Daniel G A Smith, Lori A Burns, 2017, Journal of chemical theory and computation.

Vibrational specificity of proton-transfer dynamics in ground-state tropolone.

L. Burns, P. Vaccaro, D. Murdock, 2010, Physical chemistry chemical physics : PCCP.

Mode-specific tunneling dynamics in the ground electronic state of tropolone.

L. Burns, P. Vaccaro, D. Murdock, 2007, The Journal of chemical physics.

An exploration of electronic structure and nuclear dynamics in tropolone: II. The A (1)B2 (pi* pi) excited state.

Lori A Burns, Daniel Murdock, Patrick H Vaccaro, 2009, The Journal of chemical physics.

An exploration of electronic structure and nuclear dynamics in tropolone. I. The X 1A1 ground state.

P. Vaccaro, D. Murdock, L. A. Burns, 2006, The Journal of chemical physics.

Double proton transfer in the and states of the tropolone • HF complex

P. Vaccaro, D. Murdock, L. A. Burns, 2010 .

The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions.

Alexander D. MacKerell, Daniel G. A. Smith, K. Merz, 2017, The Journal of chemical physics.

Comparison of Explicitly Correlated Methods for Computing High-Accuracy Benchmark Energies for Noncovalent Interactions.

Dominic A Sirianni, C. Sherrill, L. Burns, 2017, Journal of chemical theory and computation.

Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory.

Daniel G. A. Smith, C. Sherrill, L. Burns, 2016, The journal of physical chemistry letters.

Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies.

Lori A Burns, Robert M Parrish, C David Sherrill, 2014, The Journal of chemical physics.

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Zachary L Glick, Andrew C. Simmonett, Levi N. Naden, 2021, The Journal of chemical physics.

Appointing silver and bronze standards for noncovalent interactions: a comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches.

Lori A Burns, C David Sherrill, Michael S Marshall, 2014, The Journal of chemical physics.

Assessment of the Performance of DFT and DFT-D Methods for Describing Distance Dependence of Hydrogen-Bonded Interactions.

Lori A Burns, Edward G Hohenstein, C David Sherrill, 2011, Journal of chemical theory and computation.

Dissection of rovibronic structure by polarization-resolved two-color resonant four-wave mixing spectroscopy.

P. Vaccaro, D. Murdock, L. A. Burns, 2009, The journal of physical chemistry. A.

Basis set convergence of the coupled-cluster correction, δ(MP2)(CCSD(T)): best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases.

Lori A Burns, C David Sherrill, Michael S Marshall, 2011, The Journal of chemical physics.

Buckyplates and buckybowls: examining the effects of curvature on π-π interactions.

C. Sherrill, L. Burns, M. Kennedy, 2012, The journal of physical chemistry. A.

Color-blind fluorescence detection for four-color DNA sequencing.

Lori A Burns, Carter Kittrell, Freddy T. Nguyen, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Electronic structure and proton transfer in ground-state hexafluoroacetylacetone.

C. Incarvito, P. Vaccaro, L. A. Burns, 2010, Journal of Physical Chemistry A.