Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Effect of Oxidation and Protonation States on [2Fe–2S] Cluster Nitrosylation Giving {Fe(NO)₂}⁹ Dinitrosyl Iron Complexes (DNICs) by Christine E. Schiewer (6112373)

“…Density functional theory calculations based on the structure of <b>3</b>^<b>–</b> indicate that the electronic ground-state properties of <b>3</b>^<b>–</b> and <b>3H</b> are similar, although the NO­(π*) → Fe 3d π-donation is slightly increased and π-backbonding is slightly decreased upon protonation. As a result, protonation has a significant effect on the NO stretching frequencies, but only minor effects on the Fe–(NO)₂ modes. …”

Targeted deletion of PPARγin macrophages inhibits lung cancer metastasis in an orthotopic mouse model of non-small cell lung cancer. by Howard Li (194066)

“…Animals were injected with 10⁵ CMT/167-luc cells orthotopically as in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0028133#pone-0028133-g001" target="_blank">Fig. 1</a>. …”

Homoleptic Ir(III) Phosphors with 2‑Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes by Caifa You (10427035)

“…The results revealed that electron-withdrawing trifluoromethyl substitution on the N-heterocyclic carbene fragment only gave a minor variation of photoluminescence peak wavelengths and a decrease in radiative lifetime but notable reduction in thermal stabilities. …”