Formation process of molecular complexes and/or double or triple chemical bond breaking in M2 + L (M = Ti,Pd ; L = CO, N2), Co2O2 + O2 reactions and in hydrated monometallic cationic oxides : electronic structure and chemical pathway using density fonctionnal theory in its "Unrestricted Broken Symmetry" formalism - Formation process of molecular complexes and/or double or triple chemical bond breaking in M2 + L (M = Ti,Pd ; L = CO, N2), Co2O2 + O2 reactions and in hydrated monometallic cationic oxides : electronic structure and chemical pathway using density fonctionnal theory in its "Unrestricted Broken Symmetry" formalism

Dataset description:

Dans ce travail, nous nous sommes intéressés à l'amélioration de la description, par des méthodes théoriques de type DFT, des systèmes de type M2Ln (avec M = Ti, Co, Pd et L =...

Source: Formation process of molecular complexes and/or double or triple chemical bond breaking in M2 + L (M = Ti,Pd ; L = CO, N2), Co2O2 + O2 reactions and in hydrated monometallic cationic oxides : electronic structure and chemical pathway using density fonctionnal theory in its "Unrestricted Broken Symmetry" formalism

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Field	Value
Data last updated	unknown
Metadata last updated	May 11, 2026
Created	unknown
Format	HTML
License	https://about.hal.science/hal-authorisation-v1/, info:eu-repo/semantics/OpenAccess
Created	6 months ago
Id	b839af7a-28bf-44f9-bc18-360e7154369a
Package id	oai-hal-tel-00815319v1
Resource type	HTML
State	active

Field

Value

Data last updated

unknown

Metadata last updated

May 11, 2026

Created

unknown

Format

HTML

License

https://about.hal.science/hal-authorisation-v1/, info:eu-repo/semantics/OpenAccess

Created

6 months ago

b839af7a-28bf-44f9-bc18-360e7154369a

Package id

oai-hal-tel-00815319v1

Resource type

HTML

State

active

Formation process of molecular complexes...

Dataset description:

Additional Information