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Raggi, Gerardo
22  Ergebnisse:
Personensuche X
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1

Halogen Bond of Halonium Ions: Benchmarking DFT Methods for..:

Sethio, Daniel ; Raggi, Gerardo ; Lindh, Roland.
Journal of Chemical Theory and Computation.  16 (2020)  12 - p. 7690-7701 , 2020
Link: https://doi.org/10.1021/..
 
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2

Restricted-Variance Molecular Geometry Optimization Based o..:

Raggi, Gerardo ; Galván, Ignacio Fdez. ; Ritterhoff, Christian L...
Journal of Chemical Theory and Computation.  16 (2020)  6 - p. 3989-4001 , 2020
Link: https://doi.org/10.1021/..
 
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3

Restricted-Variance Constrained, Reaction Path, and Transit..:

Fdez. Galván, Ignacio ; Raggi, Gerardo ; Lindh, Roland
Journal of Chemical Theory and Computation.  17 (2020)  1 - p. 571-582 , 2020
Link: https://doi.org/10.1021/..
 
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4

Surface-charge distribution on a dielectric sphere due to a..:

Raggi, Gerardo ; Stace, Anthony J. ; Bichoutskaia, Elena
Physical Chemistry Chemical Physics.  15 (2013)  46 - p. 20115 , 2013
Link: https://doi.org/10.1039/..
 
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5

The OpenMolcas Web : A Community-Driven Approach to Advanci..:

Manni, Giovanni Li ; Fernández Galván, Ignacio ; Alavi, Ali...
Journal of Chemical Theory and Computation, 1549-9618, 2023, 19:20, s. 6933-6991.  , 2023
Link: http://urn.kb.se/resolve..
 
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6

The OpenMolcas Web : A Community-Driven Approach to Advanci..:

Li Manni, Giovanni ; Fdez. Galván, Ignacio ; Alavi, Ali...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jctc.3c00182.  , 2023
Link: https://hal.science/hal-..
 
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7

The OpenMolcas Web : A Community-Driven Approach to Advanci..:

Li Manni, Giovanni ; Fdez. Galván, Ignacio ; Alavi, Ali...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jctc.3c00182.  , 2023
Link: https://hal.science/hal-..
 
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8

The OpenMolcas Web:A Community-Driven Approach to Advancing..:

Li Manni, Giovanni ; Fdez. Galván, Ignacio ; Alavi, Ali...
https://orbit.dtu.dk/en/publications/c3d4b0c7-ffdc-41a9-bec0-922d5ec4a832.  , 2023
Link: https://orbit.dtu.dk/en/..
 
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9

The OpenMolcas Web : A Community-Driven Approach to Advanci..:

Li Manni, Giovanni ; Fdez. Galván, Ignacio ; Alavi, Ali...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jctc.3c00182.  , 2023
Link: https://hal.science/hal-..
 
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10

The OpenMolcas Web: A Community-Driven Approach to Advancin..:

Li Manni, Giovanni ; Fdez. Galván, Ignacio ; Alavi, Ali...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601490/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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11

Restricted-Variance Constrained, Reaction Path, and Transit..:

Fernández Galván, Ignacio ; Raggi, Gerardo ; Lindh, Roland
Journal of Chemical Theory and Computation, 1549-9618, 2021, 17:1, s. 571-582.  , 2021
Link: http://urn.kb.se/resolve..
 
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12

Restricted-Variance Molecular Geometry Optimization Based o..:

Raggi, Gerardo ; Fernández Galván, Ignacio ; Ritterhoff, Christian L..
Journal of Chemical Theory and Computation, 1549-9618, 2020, 16:6, s. 3989-4001.  , 2020
Link: http://urn.kb.se/resolve..
 
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13

Halogen bond of halonium ions : Benchmarking DFT methods fo..:

Sethio, Daniel ; Raggi, Gerardo ; Lindh, Roland.
Journal of Chemical Theory and Computation, 1549-9618, 2020, 16:12, s. 7690-7701.  , 2020
Link: http://urn.kb.se/resolve..
 
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14

Predicting polarisation hemisphere switch in C60 caused by ..:

Raggi, Gerardo
http://arxiv.org/abs/1803.04512.  , 2018
Link: http://arxiv.org/abs/180..
 
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15

The −+ and −+ constructions for biset functors:

Boltje, Robert ; Raggi-Cárdenas, Gerardo ; Valero-Elizondo, Luis
Journal of Algebra.  523 (2019)  - p. 241-273 , 2019
Link: https://doi.org/10.1016/..
 
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