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The Journal of Chemical Physics
|
April 10, 2015
Efficient calculation of integrals in mixed ramp-Gaussian basis sets
Laura K McKemmish
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
August 6, 2019
General mathematical formulation of scattering processes in atom-diatomic collisions in the RmatReact methodology
Laura K McKemmish, Jonathan Tennyson
The Journal of Physical Chemistry. A
|
August 25, 2020
Computation of Dipole Moments: A Recommendation on the Choice of the Basis Set and the Level of Theory
Juan Camilo Zapata, Laura K McKemmish
The Journal of Chemical Physics
|
August 8, 2023
On the specialization of Gaussian basis sets for core-dependent properties
Robbie T Ireland, Laura K McKemmish
Monthly Notices of the Royal Astronomical Society
|
October 19, 2020
Experimental energy levels of <sup>12</sup>C<sup>14</sup>N through marvel analysis
Anna-Maree Syme, Laura K McKemmish
Monthly Notices of the Royal Astronomical Society
|
June 28, 2021
Full spectroscopic model and trihybrid experimental-perturbative-variational line list for CN
Anna-Maree Syme, Laura K McKemmish
The Journal of Physical Chemistry. A
|
June 20, 2022
VIBFREQ1295: A New Database for Vibrational Frequency Calculations
Juan C Zapata Trujillo, Laura K McKemmish
Journal of Chemical Theory and Computation
|
November 18, 2015
Accurate Electron Densities at Nuclei Using Small Ramp-Gaussian Basis Sets
Laura K McKemmish, Andrew T B Gilbert
Faraday Discussions
|
October 7, 2016
Low-temperature chemistry using the R-matrix method
Jonathan Tennyson, Laura K McKemmish, Tom Rivlin
Journal of Chemical Theory and Computation
|
November 24, 2015
Gaussian Expansions of Orbitals
Laura K McKemmish, Peter M W Gill
Page
of 3
Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
April 10, 2015
Efficient calculation of integrals in mixed ramp-Gaussian basis sets
Laura K McKemmish
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
August 6, 2019
General mathematical formulation of scattering processes in atom-diatomic collisions in the RmatReact methodology
Laura K McKemmish, Jonathan Tennyson
The Journal of Physical Chemistry. A
|
August 25, 2020
Computation of Dipole Moments: A Recommendation on the Choice of the Basis Set and the Level of Theory
Juan Camilo Zapata, Laura K McKemmish
The Journal of Chemical Physics
|
August 8, 2023
On the specialization of Gaussian basis sets for core-dependent properties
Robbie T Ireland, Laura K McKemmish
Monthly Notices of the Royal Astronomical Society
|
October 19, 2020
Experimental energy levels of <sup>12</sup>C<sup>14</sup>N through marvel analysis
Anna-Maree Syme, Laura K McKemmish
Monthly Notices of the Royal Astronomical Society
|
June 28, 2021
Full spectroscopic model and trihybrid experimental-perturbative-variational line list for CN
Anna-Maree Syme, Laura K McKemmish
The Journal of Physical Chemistry. A
|
June 20, 2022
VIBFREQ1295: A New Database for Vibrational Frequency Calculations
Juan C Zapata Trujillo, Laura K McKemmish
Journal of Chemical Theory and Computation
|
November 18, 2015
Accurate Electron Densities at Nuclei Using Small Ramp-Gaussian Basis Sets
Laura K McKemmish, Andrew T B Gilbert
Faraday Discussions
|
October 7, 2016
Low-temperature chemistry using the R-matrix method
Jonathan Tennyson, Laura K McKemmish, Tom Rivlin
Journal of Chemical Theory and Computation
|
November 24, 2015
Gaussian Expansions of Orbitals
Laura K McKemmish, Peter M W Gill
Page
of 3