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Overall reactions and free energies.

Figshare2015-12-02 更新2026-04-29 收录

反应热力学

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https://figshare.com/articles/dataset/_Overall_reactions_and_free_energies_/556318 数据链接链接失效反馈

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Overall reactions and free energies.

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2015-12-02

金属有机化学

反应热力学

Dimerizations of fulvene metal tricarbonyl complexes of the type (C5H4CRR′)M(CO)3 (R, R′ = MeO, Me, H; M = Cr, Mo, W) to form a metal–metal bond and a new carbon–carbon bond, thereby giving binuclea

NIAID Data Ecosystem100

WangLandau_N1000_transmission0.5_alpha1.dat

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统计物理模拟

:unav

DataCite Commons2023-06-22 更新70

Free energy decomposition of hot spot residues in Dimer 1 (Values are in kcal/mol).

代谢物-蛋白相互作用

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Free energy decomposition of hot spot residues in Dimer 1 (Values are in kcal/mol).

NIAID Data Ecosystem40

XVG files for chitosan

分子动力学

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Arquivos XVG gerados pela análise BAR do GROMACS

DataCite Commons2020-08-28 更新80

The Gibbs free energies of reaction (Δ G 0 ) and reaction energy barrier (Δ G ≠ ) for PIC and ISO scavenging NO 2 in water solution, at 298 K (in kJ/mol).

反应热力学

氮氧化物清除剂评估

The Gibbs free energies of reaction (ΔG0) and reaction energy barrier (ΔG≠) for PIC and ISO scavenging NO2 in water solution, at 298 K (in kJ/mol).

NIAID Data Ecosystem40

Overall reactions and free energies.

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