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Nuclear magnetic resonance shieldings of water clusters: is it possible to reach the complete basis set limit by extrapolation?
Nuclear magnetic resonance shieldings of water clusters: is it possible to reach the complete basis set limit by extrapolation?
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Nuclear magnetic resonance shieldings of water clusters: is it possible to reach the complete basis set limit by extrapolation?

Armangué, Lluís ; Solà, Miquel ; Swart, Marcel

Molecular physics, 2013-07, Vol.111 (9-11), p.1332-1344 [Periódico revisado por pares]

Abingdon: Taylor & Francis Group

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2
Cross-polarisation ENDOR for spin-1 deuterium nuclei
Cross-polarisation ENDOR for spin-1 deuterium nuclei
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Cross-polarisation ENDOR for spin-1 deuterium nuclei

Bejenke, Isabel ; Zeier, Robert ; Rizzato, Roberto ; Glaser, Steffen J. ; Bennati, Marina

Molecular physics, 2020-09, Vol.118 (18), p.e1763490 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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3
Comparison of fast field-cycling magnetic resonance imaging methods and future perspectives
Comparison of fast field-cycling magnetic resonance imaging methods and future perspectives
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Comparison of fast field-cycling magnetic resonance imaging methods and future perspectives

Bödenler, Markus ; de Rochefort, Ludovic ; Ross, P. James ; Chanet, Nicolas ; Guillot, Geneviève ; Davies, Gareth R. ; Gösweiner, Christian ; Scharfetter, Hermann ; Lurie, David J. ; Broche, Lionel M.

Molecular physics, 2019-04, Vol.117 (7-8), p.832-848 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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4
DFT design of polyguanidine - a unique two-dimensional material with high-energy density
DFT design of polyguanidine - a unique two-dimensional material with high-energy density
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DFT design of polyguanidine - a unique two-dimensional material with high-energy density

Bondarchuk, Sergey V. ; Minaev, Boris F.

Molecular physics, 2017-10, Vol.115 (19), p.2423-2430 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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5
Chiral discrimination in NMR spectroscopy: computation of the relevant molecular pseudoscalars
Chiral discrimination in NMR spectroscopy: computation of the relevant molecular pseudoscalars
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Chiral discrimination in NMR spectroscopy: computation of the relevant molecular pseudoscalars

Buckingham, A. David ; Lazzeretti, Paolo ; Pelloni, Stefano

Molecular physics, 2015-07, Vol.113 (13-14), p.1780-1785 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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6
Synthesis, spectroscopic and structural characterisation of two p-nitrobenzamide compounds: experimental and DFT study
Synthesis, spectroscopic and structural characterisation of two p-nitrobenzamide compounds: experimental and DFT study
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Synthesis, spectroscopic and structural characterisation of two p-nitrobenzamide compounds: experimental and DFT study

Burcu Arslan, N. ; Kazak, Canan ; Aydın, Fatma

Molecular physics, 2015-03, Vol.113 (6), p.608-621 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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7
Molecular properties in the Tamm-Dancoff approximation: indirect nuclear spin-spin coupling constants
Molecular properties in the Tamm-Dancoff approximation: indirect nuclear spin-spin coupling constants
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Molecular properties in the Tamm-Dancoff approximation: indirect nuclear spin-spin coupling constants

Cheng, Chi Y. ; Ryley, Matthew S. ; Peach, Michael J.G. ; Tozer, David J. ; Helgaker, Trygve ; Teale, Andrew M.

Molecular physics, 2015-07, Vol.113 (13-14), p.1937-1951 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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8
W-band ELDOR-detected NMR (EDNMR) spectroscopy as a versatile technique for the characterisation of transition metal-ligand interactions
W-band ELDOR-detected NMR (EDNMR) spectroscopy as a versatile technique for the characterisation of transition metal-ligand interactions
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W-band ELDOR-detected NMR (EDNMR) spectroscopy as a versatile technique for the characterisation of transition metal-ligand interactions

Cox, Nicholas ; Lubitz, Wolfgang ; Savitsky, Anton

Molecular physics, 2013-10, Vol.111 (18-19), p.2788-2808 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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9
Monitoring lubricant oil degradation using field-cycling NMR relaxometry
Monitoring lubricant oil degradation using field-cycling NMR relaxometry
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Monitoring lubricant oil degradation using field-cycling NMR relaxometry

Erro, E. M. ; Fraenza, C. C. ; Gerbino, L. ; Anoardo, E.

Molecular physics, 2019-04, Vol.117 (7-8), p.983-989 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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10
Field-cycling NMR relaxometry: the benefit of constructing master curves
Field-cycling NMR relaxometry: the benefit of constructing master curves
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Field-cycling NMR relaxometry: the benefit of constructing master curves

Flämig, M. ; Hofmann, M. ; Rössler, E. A.

Molecular physics, 2019-04, Vol.117 (7-8), p.877-887 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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