E-LIB Suche - Ergebnisse für: Dundas, Karen

1

Riddle's Court, Lawnmarket, Edinburgh: a merchant's house f..:

Cressey, Michael ; Crone, Anne ; Dundas, Karen..
Scottish Archaeological Internet Reports. 102 (2023) - p. 1-67 , 2023

Link: https://doi.org/10.9750/..

2

Strange Bedfellows: The Scottish Renaissance Meets Twenty-F..:

Allardyce, Fiona ; Dundas, Karen
The Historic Environment: Policy & Practice. 2 (2011) 1 - p. 5-20 , 2011

Link: https://doi.org/10.1179/..

3

Harmonic Infrared and Raman Spectra in Molecular Environmen..:

Dundas, Karen Oda Hjorth Minde ; Beerepoot, Maarten T. P. ; Ringholm, Magnus...
Journal of Chemical Theory and Computation. 17 (2021) 6 - p. 3599-3617 , 2021

Link: https://doi.org/10.1021/..

4

Dalton Project: A Python platform for molecular- and electr..:

Olsen, Jógvan Magnus Haugaard ; Reine, Simen ; Vahtras, Olav...
The Journal of Chemical Physics. 152 (2020) 21 - p. , 2020

Link: https://doi.org/10.1063/..

5

Harmonic Infrared and Raman Spectra in Molecular Environmen..:

Dundas, Karen Oda Hjorth Minde ; Beerepoot, Maarten T. P ; Ringholm, Magnus...
NFR/274918. , 2021

Link: http://hdl.handle.net/10..

6

Harmonic Infrared and Raman Spectra in Molecular Environmen..:

Dundas, Karen Oda Hjorth Minde ; Beerepoot, Maarten T.P ; Ringholm, Magnus...
Dundas , K O H M , Beerepoot , M T P , Ringholm , M , Reine , S , Bast , R , List , N H , Kongsted , J , Ruud , K & Olsen , J M H 2021 , ' Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model ' , Journal of Chemical theory and Computation , vol. 17 , no. 6 , pp. 3599–3617 . https://doi.org/10.1021/acs.jctc.0c01323. , 2021

Link: https://portal.findresea..

7

Harmonic Infrared and Raman Spectra in Molecular Environmen..:

Dundas, Karen Oda Hjorth Minde ; Beerepoot, Maarten T. P ; Ringholm, Magnus...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8278393/. , 2021

Link: http://www.ncbi.nlm.nih...

8

Harmonic Infrared and Raman Spectra in Molecular Environmen..:

Dundas, Karen Oda Hjorth Minde ; Beerepoot, Maarten T. P ; Ringholm, Magnus...
Journal of Chemical Theory and Computation. , 2021

Link: https://hdl.handle.net/1..

9

Vibrational spectroscopy beyond the harmonic approximation ..:

Dundas, Karen Oda Hjorth Minde
Paper I: Dundas, K.O.H.M., Beerepoot, M.T.P., Ringholm, M., Reine, S., Bast, R., List, N.H., … Olsen, J.M.H. Harmonic Infrared and Raman Spectra in Molecular Environments using the Polarizable Embedding Model. (Submitted manuscript). Paper II: Dundas, K.O.H.M., Reine, S.S., Gao, B., Ruud, K., Olsen, J.M.H. & Ringholm, M. Analytic High-order Geometric Derivatives with Polarizable Embedding in a Response Theory Framework. (Manuscript). Paper III: Olsen, J.M.H., Reine, S.S., Vahtras, O., Kjellgren, E., Reinholdt, P., Dundas, K.O.H., … Norman, P. (2020). Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. Journal of Chemical Physics, 152 (21), 214115. Also available in Munin at https://hdl.handle.net/10037/18566 .. , 2021

Link: https://hdl.handle.net/1..

10

Dataset for "Analytic High-order Geometric Derivatives with..:

Dundas, Karen Oda Hjorth Minde ; Ringholm, Magnus ; Olsen, Jógvan Magnus Haugaard
doi:10.5281/zenodo.4285810. , 2020

Link: https://zenodo.org/recor..

11

Dalton Project: A Python platform for molecular- and electr..:

Olsen, Jógvan Magnus Haugaard ; Reine, Simen Sommerfelt ; Vahtras, Olav...
NOTUR/NORSTORE/NN4654K. , 2020

Link: http://hdl.handle.net/10..

12

Dalton project: a Python platform for molecular- and electr..:

Olsen, Jógvan Magnus Haugaard ; Reine, Simen ; Vahtras, Olav...
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.5144298. , 2020

Link: https://vb.ktu.edu/KTU:E..

13

Dataset for the "Harmonic Infrared and Raman Spectra in Mol..:

Dundas, Karen Oda Hjorth Minde ; Ringholm, Magnus ; Beerepoot, Maarteen T. P.
doi:10.5281/zenodo.4271302. , 2020

Link: https://zenodo.org/recor..

14

Dalton project: a Python platform for molecular- and electr..:

Olsen, Jógvan Magnus Haugaard ; Reine, Simen ; Vahtras, Olav...
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.5144298. , 2020

Link: http://ktu.oai.elaba.lt/..

15

Dalton Project: A Python platform for molecular- and electr..:

Olsen, Jógvan Magnus Haugaard ; Reine, Simen Sommerfelt ; Vahtras, Olav...
Dundas, K.O.H.M. (2021). Vibrational spectroscopy beyond the harmonic approximation with the Polarizable Embedding model. (Doctoral thesis). https://hdl.handle.net/10037/20569 .. , 2020

Link: https://hdl.handle.net/1..