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X
Yates, Jonathan
375  Ergebnisse:
OpenAccess-Volltexte X
Personensuche X
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1

Reducing the computational cost of NMR crystallography of o..:

Thureau, Pierre ; Sturniolo, Simone ; Zilka, Miri...
info:eu-repo/semantics/altIdentifier/doi/10.1002/mrc.4848.  , 2019
Link: https://hal.archives-ouv..
 
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2

Wannier90 as a community code: new features and application:

Pizzi, Giovanni ; Vitale, Valerio ; Arita, Ryotaro...
info:eu-repo/semantics/altIdentifier/doi/10.1088/1361-648X/ab51ff.  , 2019
Link: https://hal.sorbonne-uni..
 
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3

The Lorentz sphere visualized:

Sturniolo, Simone ; Yates, Jonathan
http://arxiv.org/abs/1811.02347.  , 2018
Link: http://arxiv.org/abs/181..
 
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4

First-Principles Band Alignments at the Si:Anatase TiO(2) I..:

Chang, Yide ; Yates, Jonathan R ; Patrick, Christopher E
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10249118/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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5

The Wannier-Functions Software Ecosystem for Materials Simu..:

Marrazzo, Antimo ; Beck, Sophie ; Margine, Elena R...
http://arxiv.org/abs/2312.10769.  , 2023
Link: http://arxiv.org/abs/231..
 
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6

Accurate and efficient structure factors in ultrasoft pseud..:

Shi, Benjamin X ; Nicholls, Rebecca J ; Yates, Jonathan R
http://arxiv.org/abs/2209.12227.  , 2022
Link: http://arxiv.org/abs/220..
 
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7

Mapping of N−C Bond Formation from a Series of Crystalline ..:

Rees, Gregory J ; Pitak, Mateusz B ; Lari, Alberth...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8596510/.  , 2021
Link: http://www.ncbi.nlm.nih...
 
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8

Mapping of N-C bond formation from a series of crystalline ..:

Rees, Gregory J ; Pitak, Mateusz ; Lari, Alberth...
https://eprints.soton.ac.uk/451693/1/anie.202111100.pdf.  , 2021
Link: https://eprints.soton.ac..
 
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9

Automated high-throughput Wannierisation:

Vitale, Valerio ; Pizzi, Giovanni ; Marrazzo, Antimo...
doi:10.17863/CAM.64685.  , 2021
Link: https://doi.org/10.17863..
 
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10

Wannier90 as a community code: New features and application:

Pizzi, Giovanni ; Vitale, Valerio ; Arita, Ryotaro...
info:eu-repo/semantics/altIdentifier/doi/10.1088/1361-648X/ab51ff.  , 2020
Link: https://hdl.handle.net/2..
 
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11

Wannier90 as a community code: new features and application:

Pizzi, Giovanni ; Vitale, Valerio ; Nomura, Yusuke...
https://iopscience.iop.org/article/10.1088/1361-648X/ab51ff.  , 2020
Link: http://hdl.handle.net/10..
 
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12

Wannier90 as a community code: new features and application:

Pizzi, Giovanni ; Vitale, Valerio ; Arita, Ryotaro...
boreal:254852.  , 2020
Link: http://hdl.handle.net/20..
 
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13

Wannier90 as a community code: new features and application:

Pizzi, Giovanni ; Vitale, Valerio ; Nomura, Yusuke...
https://iopscience.iop.org/article/10.1088/1361-648X/ab51ff.  , 2020
Link: http://hdl.handle.net/10..
 
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14

Wannier90 as a community code: new features and application:

Pizzi, Giovanni ; Vitale, Valerio ; Arita, Ryotaro...
https://www.repository.cam.ac.uk/handle/1810/301189.  , 2020
Link: https://www.repository.c..
 
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15

Wannier90 as a community code: new features and application:

Pizzi, Giovanni ; Vitale, Valerio ; Arita, Ryotaro...
boreal:254852.  , 2020
Link: http://hdl.handle.net/20..
 
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