Nessima Salhi

Water Oxidation by Pentapyridyl Base Metal Complexes?: A Case Study

Boniolo, Manuel; Hossain, Md Kamal; Chernev, Petko; Suremann, Nina F. et al.

Ingår i Inorganic Chemistry, s. 9104-9118, 2022

• DOI för Water Oxidation by Pentapyridyl Base Metal Complexes?: A Case Study
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Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework

Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A. et al.

Ingår i Dalton Transactions, s. 660-674, 2021

• DOI för Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework
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Spin transition in a ferrous chloride complex supported by a pentapyridine ligand

Boniolo, Manuel; Shylin, Sergii I.; Chernev, Petko; Cheah, Mun Hon et al.

Ingår i Chemical Communications, s. 2703-2706, 2020

• DOI för Spin transition in a ferrous chloride complex supported by a pentapyridine ligand
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McLafferty rearrangement of the radical cations of butanal and 3-fluorobutanal: A theoretical investigation of the concerted and stepwise mechanisms

Norberg, Daniel; Salhi-Benachenhou, Nessima

Ingår i Journal of Computational Chemistry, s. 392-406, 2008

• DOI för McLafferty rearrangement of the radical cations of butanal and 3-fluorobutanal: A theoretical investigation of the concerted and stepwise mechanisms

Rearrangement and hydrogen scrambling pathways of the toluene radical cation: A computational study

Norberg, Daniel; Larsson, Per-Erik; Salhi-Benachenhou, Nessima

Ingår i Journal of Physical Chemistry A, s. 4694-4702, 2008

• DOI för Rearrangement and hydrogen scrambling pathways of the toluene radical cation: A computational study

Water Oxidation by Pentapyridyl Base Metal Complexes?: A Case Study

Boniolo, Manuel; Hossain, Md Kamal; Chernev, Petko; Suremann, Nina F. et al.

Ingår i Inorganic Chemistry, s. 9104-9118, 2022

• DOI för Water Oxidation by Pentapyridyl Base Metal Complexes?: A Case Study
• Ladda ner fulltext (pdf) av Water Oxidation by Pentapyridyl Base Metal Complexes?: A Case Study

Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework

Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A. et al.

Ingår i Dalton Transactions, s. 660-674, 2021

• DOI för Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework
• Ladda ner fulltext (pdf) av Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework

Spin transition in a ferrous chloride complex supported by a pentapyridine ligand

Boniolo, Manuel; Shylin, Sergii I.; Chernev, Petko; Cheah, Mun Hon et al.

Ingår i Chemical Communications, s. 2703-2706, 2020

• DOI för Spin transition in a ferrous chloride complex supported by a pentapyridine ligand
• Ladda ner fulltext (pdf) av Spin transition in a ferrous chloride complex supported by a pentapyridine ligand

McLafferty rearrangement of the radical cations of butanal and 3-fluorobutanal: A theoretical investigation of the concerted and stepwise mechanisms

Norberg, Daniel; Salhi-Benachenhou, Nessima

Ingår i Journal of Computational Chemistry, s. 392-406, 2008

• DOI för McLafferty rearrangement of the radical cations of butanal and 3-fluorobutanal: A theoretical investigation of the concerted and stepwise mechanisms

Rearrangement and hydrogen scrambling pathways of the toluene radical cation: A computational study

Norberg, Daniel; Larsson, Per-Erik; Salhi-Benachenhou, Nessima

Ingår i Journal of Physical Chemistry A, s. 4694-4702, 2008

• DOI för Rearrangement and hydrogen scrambling pathways of the toluene radical cation: A computational study

Isomerization pathways from the norbornadiene to the cycloheptatriene radical cation by opening a bridgehead-methylene bond: a theoretical investigation

Norberg, Daniel; Larsson, Per-Erik; Salhi-Benachenhou, Nessima

Ingår i Organic and biomolecular chemistry, s. 4241-4250, 2006

• DOI för Isomerization pathways from the norbornadiene to the cycloheptatriene radical cation by opening a bridgehead-methylene bond: a theoretical investigation

Bicyclopropylidene radical cation: A rehybridization ring opening to tetramethyleneethane

Norberg, Daniel; Larsson, Per-Erik; Dong, Xi-Cheng; Salhi-Benachenhou, Nessima et al.

Ingår i International Journal of Quantum Chemistry, s. 473-483, 2004

• DOI för Bicyclopropylidene radical cation: A rehybridization ring opening to tetramethyleneethane

Quadricyclane Radical Cation Rearrangements: A Computational Study of the Transformations to 1,3,5-Cycloheptatriene and Norbornadiene

Larsson, Per-Erik; Salhi-Benachenhou, Nessima; Lunell, Sten

Ingår i Chemistry - A European Journal, s. 681-688, 2004

• DOI för Quadricyclane Radical Cation Rearrangements: A Computational Study of the Transformations to 1,3,5-Cycloheptatriene and Norbornadiene

Bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium Radical Cation: A Theoretical Validation of a Bishomoaromatic Radical Cation Intermediate

Larsson, Per-Erik; Salhi-Benachenhou, Nessima; Lunell, Sten

Ingår i Organic Letters, s. 1329-1331, 2003

• DOI för Bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium Radical Cation: A Theoretical Validation of a Bishomoaromatic Radical Cation Intermediate

Quadricyclane Radical Cation Isomerization Reactions: A Theoretical Study

Larsson, Per-Erik; Salhi-Benachenhou, Nessima; Dong, Xicheng; Lunell, Sten

Ingår i International Journal of Quantum Chemistry, s. 1388-1395, 2002

• DOI för Quadricyclane Radical Cation Isomerization Reactions: A Theoretical Study

Theoretical study of the ethylene radical cation: geometry and hyperfine structure

Salhi-Benachenhou, Nessima; Engels, B; Huang, M B; Lunell, Sten

Ingår i Chemical Physics, s. 53-61, 1998

A theoretical study of the cationic dimerization and polymerization of isobutene

Dong, XC; Salhi-Benachenhou, Nessima; Lunell, Sten

Ingår i Journal of Molecular Structure, s. 111-124, 1997

• DOI för A theoretical study of the cationic dimerization and polymerization of isobutene

Model calculations of matrix effects on the conversion of propene radical cations into allyl radicals in halocarbon matrices

Salhi-Benachenhou, Nessima; Alvarez Idaboy, JR; Lunell, Sten

Ingår i Acta Chemica Scandinavica, s. 242-248, 1997

Formation of 2-hexene by cationic dimerization of propene: an ab initio and density functional theory study

Salhi-Benachenhou, Nessima; Alvarez Idaboy, JR; Lunell, Sten; Eriksson, LA

Ingår i Theoretical Chemistry accounts, s. 277-282, 1997

• DOI för Formation of 2-hexene by cationic dimerization of propene: an ab initio and density functional theory study

Density functional study of the hexamethyl-(Dewar benzene) radical cation and some related compounds

Salhi-Benachenhou, Nessima; Eriksson, Leif A.; Lunell, Sten

Ingår i Acta Chemica Scandinavica, s. 636-640, 1997

Symmetry breaking in charge-transfer compounds: The effects of electric fields and substituents on the properties of bipyrazine cations

Eriksson, Leif A.; Salhi-Benachenhou, Nessima; Goscinski, Osvaldo

Ingår i Molecular Engineering, s. 339-352, 1995

• DOI för Symmetry breaking in charge-transfer compounds: The effects of electric fields and substituents on the properties of bipyrazine cations

Nonlinear optical properties of some substituted biphenyls

Hedström, Magnus; Salhi-Benachenhou, Nessima; Calais, Jean-Louis

Ingår i Molecular Engineering, s. 329-342, 1994

Structural and spectroscopic properties of a set of donor-acceptor molecules with and without spacers: Part 1. Methoxyphenyl and dimethylaminophenyl groups as donors

Salhi, Nessima; Eriksson, Leif A.; Calais, Jean-Louis; Nordfors, David

Ingår i Journal of Molecular Structure, s. 257-271, 1992

• DOI för Structural and spectroscopic properties of a set of donor-acceptor molecules with and without spacers: Part 1. Methoxyphenyl and dimethylaminophenyl groups as donors

Structural and spectroscopic properties of a set of donor-acceptor molecules with and without spacers: Part 2. Piperonyl and julolidyl groups as donors

Salhi, Nessima; Hedström, Magnus; Eriksson, Leif A.; Calais, Jean-Louis

Ingår i Journal of Molecular Structure, s. 273-285, 1992

• DOI för Structural and spectroscopic properties of a set of donor-acceptor molecules with and without spacers: Part 2. Piperonyl and julolidyl groups as donors

Théorie MNDO du diamagnétisme moléculaire

Gayoso, J; Salhi, Nessima

Ingår i Comptes rendus de l'Académie des sciences. Série 2, Mécanique, physique, chimie, sciences de l'univers, sciences de la terre, s. 881-884, 1987

Semiempirical and Ab initio MO studies of charge transfer systems and radical cations

Salhi-Benachenhou, Nessima

1995

Theoretical Calculations of Kinetic Isotope Effects for a Series of Aziridines

Jansson, Carl Magnus; Larsson, Per-Erik; Salhi-Benachenhou, Nessima; Bergson, Göran et al.

Ingår i Fundamental World of Quantum Chemistry, Kluwer Academic Publishers, 2004