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Browsing by Author Gilbert, Andrew

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Showing results 12 to 22 of 22

Interfacing Q-chem and CHARMM to perform QM/MM reaction path calculations

Author(s)Woodcock, H Lee; Hodoscek, Milan; Gilbert, Andrew, et al
TypeJournal article
Date Published2007
Date Created-

Interstellar solid hydrogen

Author(s)Lin, Ching-Yeh; Gilbert, Andrew; Walker, M.
TypeJournal article
Date Published2011
Date Created-

Mixed ramp-Gaussian basis sets

Author(s)McKemmish, Laura; Gilbert, Andrew; Gill, Peter
TypeJournal article
Date Published2014
Date Created-
01_Chan_Performance_of_density_2014.pdf.jpg

Performance of density functional theory procedures for the calculation of proton-exchange barriers: Unusual behavior of M06-type functionals

Author(s)Chan, Bun; Gilbert, Andrew; Gill, Peter, et al
TypeJournal article
Date Published2014
Date Created-

Q-MP2-OS: Moller-Plesset Correlation Energy by Quadrature

Author(s)Barca, Giuseppe Maria Junior; McKenzie, Simon C; Bloomfield, Nathaniel, et al
TypeJournal article
Date Published2020
Date Created-
01_Gill_Resolutions_of_the_Coulomb_2009.pdf.jpg

Resolutions of the Coulomb operator: II. The Laguerre generator

Author(s)Gill, Peter; Gilbert, Andrew
TypeJournal article
Date Published2009
Date Created-

Resolutions of the Coulomb Operator: IV. The Spherical Bessel Quasi-Resolution

Author(s)Limpanuparb, Taweetham; Gilbert, Andrew; Gill, Peter
TypeJournal article
Date Published2011
Date Created-

Rydberg states of the helium atom

Author(s)Deng, Jia; Gilbert, Andrew; Gill, Peter
TypeJournal article
Date Published2009
Date Created-

Self-consistent field calculations of excited states using the maximum overlap method (MOM).

Author(s)Gilbert, Andrew; Besley, Nicholas; Gill, Peter
TypeJournal article
Date Published2008
Date Created-

The SMFA program for quantum chemistry calculations on large molecules

Author(s)Kobayashi, Rika; Addicoat, Matthew; Gilbert, Andrew, et al
TypeJournal article
Date Published2019
Date Created-

The role of exchange in systematic DFT errors for some organic reactions

Author(s)Brittain, David; Lin, Ching-Yeh; Gilbert, Andrew, et al
TypeJournal article
Date Published2009
Date Created-

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