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The Journal of Chemical Physics
|
February 18, 2006
Accurate and efficient method for the treatment of exchange in a plane-wave basis
A Sorouri, W M C Foulkes, N D M Hine
The Journal of Chemical Physics
|
April 8, 2017
Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red
T J Zuehlsdorff, P D Haynes, M C Payne, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 16, 2015
Identifying and tracing potential energy surfaces of electronic excitations with specific character via their transition origins: application to oxirane
Jian-Hao Li, T J Zuehlsdorff, M C Payne, et al.
The Journal of Chemical Physics
|
December 3, 2015
Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals
T J Zuehlsdorff, N D M Hine, M C Payne, et al.
The Journal of Chemical Physics
|
June 10, 2016
Erratum: "Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals" [J. Chem. Phys. 143, 204107 (2015)]
T J Zuehlsdorff, N D M Hine, M C Payne, et al.
The Journal of Chemical Physics
|
September 28, 2010
Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra
N D M Hine, P D Haynes, A A Mostofi, et al.
The Journal of Physical Chemistry. A
|
January 9, 2019
Determination of Secondary Species in Solution through Pump-Selective Transient Absorption Spectroscopy and Explicit-Solvent TDDFT
M A P Turner, M D Horbury, V G Stavros, et al.
Journal of Chemical Theory and Computation
|
March 12, 2016
Solvent Effects on Electronic Excitations of an Organic Chromophore
T J Zuehlsdorff, P D Haynes, F Hanke, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 21, 2016
Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory
E W Tait, L E Ratcliff, M C Payne, et al.
The Journal of Chemical Physics
|
September 1, 2019
Examining solvent effects on the ultrafast dynamics of catechol
M A P Turner, R J Turner, M D Horbury, et al.
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of 2
Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
February 18, 2006
Accurate and efficient method for the treatment of exchange in a plane-wave basis
A Sorouri, W M C Foulkes, N D M Hine
The Journal of Chemical Physics
|
April 8, 2017
Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red
T J Zuehlsdorff, P D Haynes, M C Payne, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 16, 2015
Identifying and tracing potential energy surfaces of electronic excitations with specific character via their transition origins: application to oxirane
Jian-Hao Li, T J Zuehlsdorff, M C Payne, et al.
The Journal of Chemical Physics
|
December 3, 2015
Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals
T J Zuehlsdorff, N D M Hine, M C Payne, et al.
The Journal of Chemical Physics
|
June 10, 2016
Erratum: "Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals" [J. Chem. Phys. 143, 204107 (2015)]
T J Zuehlsdorff, N D M Hine, M C Payne, et al.
The Journal of Chemical Physics
|
September 28, 2010
Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra
N D M Hine, P D Haynes, A A Mostofi, et al.
The Journal of Physical Chemistry. A
|
January 9, 2019
Determination of Secondary Species in Solution through Pump-Selective Transient Absorption Spectroscopy and Explicit-Solvent TDDFT
M A P Turner, M D Horbury, V G Stavros, et al.
Journal of Chemical Theory and Computation
|
March 12, 2016
Solvent Effects on Electronic Excitations of an Organic Chromophore
T J Zuehlsdorff, P D Haynes, F Hanke, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 21, 2016
Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory
E W Tait, L E Ratcliff, M C Payne, et al.
The Journal of Chemical Physics
|
September 1, 2019
Examining solvent effects on the ultrafast dynamics of catechol
M A P Turner, R J Turner, M D Horbury, et al.
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of 2