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Bernasconi, Leonardo
79  Ergebnisse:
OpenAccess-Volltexte X
Personensuche X
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1

Machine Learning Electron Density Prediction Using Weighted..:

Achar, Siddarth K ; Bernasconi, Leonardo ; Johnson, J. Karl
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10303543/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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2

The binding of atomic hydrogen on graphene from density fun..:

Dumi, Amanda ; Upadhyay, Shiv ; Bernasconi, Leonardo...
http://arxiv.org/abs/2202.00194.  , 2022
Link: http://arxiv.org/abs/220..
 
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3

Ab Initio Molecular Dynamics Simulations of the S(N)1/S(N)2..:

Fu, Yue ; Bernasconi, Leonardo ; Liu, Peng
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8162065/.  , 2021
Link: http://www.ncbi.nlm.nih...
 
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4

Neutron Scattering Techniques for Studying Metal Complexes ..:

Scalambra, Franco ; Imberti, Silvia ; Holzmann, Nicole..
http://hdl.handle.net/10835/15050.  , 2021
Link: http://hdl.handle.net/10..
 
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5

Unveiling the catalytic potential of the Fe(iv)oxo species ..:

Saiz, Fernan ; Bernasconi, Leonardo
http://xlink.rsc.org/?DOI=D1CY00551K.  , 2021
Link: http://hdl.handle.net/10..
 
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6

Density-functional theory models of Fe(iv)O reactivity in m..:

Saiz, Fernan ; Bernasconi, Leonardo
#PLACEHOLDER_PARENT_METADATA_VALUE#.  , 2020
Link: http://hdl.handle.net/10..
 
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7

Steps ahead in understanding the catalytic isomerization me..:

Scalambra, Franco ; Lopez-Sánchez, Belen ; Holzmann, Nicole..
info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67384-R/ES/Polímeros poliheteroorganmetálicos fluorecentes solubles en agua/PPFSA.  , 2020
Link: http://hdl.handle.net/10..
 
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8

Electronic Excitations in Copper Oxides: Time-Dependent Den..:

Zivkovic, A ; de Leeuw, Nora H ; Searle, Barry.
1932-7447.  , 2020
Link: https://dspace.library.u..
 
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9

Steps ahead in understanding the catalytic isomerization me..:

Scalambra, Franco ; López-Sánchez, Belen ; Holzmann, Nicole..
http://hdl.handle.net/10835/15049.  , 2020
Link: http://hdl.handle.net/10..
 
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10

The interaction of water with cis and trans {Ru(bpy)2(PTA)2..:

Scalambra, Franco ; Holzmann, Nicole ; Bernasconi, Leonardo..
info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67384-R/ES/Polímeros poliheteroorganmetálicos fluorecentes solubles en agua/PPFSA.  , 2019
Link: http://hdl.handle.net/10..
 
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11

The Interaction of Water with cis and trans {Ru(bpy)2(PTA)2..:

Scalambra, Franco ; Holzmann, Nicole ; Bernasconi, Leonardo..
info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67384-R/ES/Polímeros poliheteroorganmetálicos fluorecentes solubles en agua/PPFSA.  , 2019
Link: http://hdl.handle.net/10..
 
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12

Electronic structure and reactivity of Fe(IV)oxo species in..:

Saiz, Fernan ; Bernasconi, Leonardo
Publisher's version.  , 2019
Link: http://hdl.handle.net/10..
 
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13

Supplementary data to RAL Technical Report "Ab initio inter..:

Holzmann, Nicole ; Bernasconi, Leonardo
http://purl.org/net/edata/handle/edata/742.  , 2018
Link: http://purl.org/net/edat..
 
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14

Water participation in catalysis revealed: an atomistic app..:

Scalambra, Franco ; Holzmann, Nicole ; Bernasconi, Leonardo..
info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67384-R/ES/Polímeros poliheteroorganmetálicos fluorecentes solubles en agua/PPFSA.  , 2018
Link: http://hdl.handle.net/10..
 
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15

Water Participation in Catalysis: An Atomistic Approach to ..:

Scalambra, Franco ; Holzmann, Nicole ; Bernasconi, Leonardo..
info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67384-R/ES/Polímeros poliheteroorganmetálicos fluorecentes solubles en agua/PPFSA.  , 2018
Link: http://hdl.handle.net/10..
 
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