Publications associées à Réaction acido-basique

Solvent-Aware Interfaces in Continuum Solvation

Nicola Marzari, Oliviero Andreussi, Francesco Nattino, Nicolas Georg Hörmann

Continuum models to handle solvent and electrolyte effects in an effective way have a long tradition in quantum-chemistry simulations and are nowadays also being introduced in computational condensed-matter and materials simulations. A key ingredient of co ...

AMER CHEMICAL SOC2019

The atomic-resolution crystal structure of activated [Fe]-hydrogenase

Xile Hu, Matthew Wodrich

Hydrogenases are promising templates for constructing new H-2-based catalysts. [Fe]-hydrogenase, which features an ironguanylylpyridinol (FeGP) cofactor, catalyses a reversible hydride transfer from H-2 to methenyl-tetrahydromethanopterin (methenyl-H4MPT+, ...

NATURE PUBLISHING GROUP2019

Improved Alkali Intercalation of Carbonaceous Materials in Ammonia Solution

László Forró, Bálint Náfrádi, Péter Szirmai, Ferenc Simon, Bence Gábor Márkus, Sándor Kollarics

Alkali-intercalated graphite compounds represent a compelling modification of carbon with significant application potential and various fundamentally important phases. The intercalation of graphite with alkali atoms (Li and K) using liquid ammonia solution ...

WILEY-V C H VERLAG GMBH2019

Optimization of Lignin Extraction from Pine Wood for Fast Pyrolysis by Using γ-valerolactone-Based Binary Solvent System

Jeremy Luterbacher, Allen Puente-Urbina

Fast pyrolysis of lignin is a promising method to produce aromatic chemicals and fuels. Lignin structure and pyrolysis conditions determine the liquid yield and product selectivity. Extraction of pine wood using γ-valerolactone (GVL) mixed with water in th ...

2019

In Situ Formation of Frustrated Lewis Pairs in a Water-Tolerant Metal-Organic Framework for the Transformation of CO2

Paul Joseph Dyson, Fatmah Ebrahim, Serhii Shyshkanov, Kyriakos Stylianou, Ngoc Tú Nguyên

Frustrated Lewis pairs (FLPs) consist of sterically hindered Lewis acids and Lewis bases, which provide high catalytic activity towards non-metal-mediated activation of "inert" small molecules, including CO2 among others. One critical issue of homogeneous ...

2019

Indirect tail states formation by thermal-induced polar fluctuations in halide perovskites

Nripan Mathews, Qiang Xu, Bing Wu

Halide perovskites possess enormous potential for various optoelectronic applications. Presently, a clear understanding of the interplay between the lattice and electronic effects is still elusive. Specifically, the weakly absorbing tail states and dual em ...

Springer2019

A Short Synthesis of the 2-Bromo-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-6-amine Building Block

Andrea Pfeifer, Andreas Muhs

A concise synthesis of pharmaceutically useful (R)-tert-butyl N-(2-bromo-9-methyl-6,7,8,9-tetrahydro-5H-pyrido [2,3-b ] indol-6-yl) -N-methylcarbamate building block 11 is described. The racemic intermediate 17 was prepared in a single step from 2-bromo-6- ...

AMER CHEMICAL SOC2019

Additive free, room temperature direct homogeneous catalytic carbon dioxide hydrogenation in aqueous solution using an iron(II) phosphine catalyst

Gabor Laurenczy, Mickael Montandon-Clerc

The negative consequences of the global warming require an important reduction of CO2 emission; and the valorization of the carbon dioxide, its transformation into useful chemicals is essential. We present here our studies on the direct CO2 hydrogenation r ...

2018

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Réaction acido-basique

Solvent-Aware Interfaces in Continuum Solvation

The atomic-resolution crystal structure of activated [Fe]-hydrogenase

Improved Alkali Intercalation of Carbonaceous Materials in Ammonia Solution

Optimization of Lignin Extraction from Pine Wood for Fast Pyrolysis by Using γ-valerolactone-Based Binary Solvent System

In Situ Formation of Frustrated Lewis Pairs in a Water-Tolerant Metal-Organic Framework for the Transformation of CO2

Indirect tail states formation by thermal-induced polar fluctuations in halide perovskites

A General and Facile Approach for the Electrochemical Reduction of Carbon Dioxide Inspired by Deep Eutectic Solvents

A Short Synthesis of the 2-Bromo-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-6-amine Building Block

Additive free, room temperature direct homogeneous catalytic carbon dioxide hydrogenation in aqueous solution using an iron(II) phosphine catalyst

Selective Catalytic Reduction of NOx

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Chattez avec Graph Search

The atomic-resolution crystal structure of activated [Fe]-hydrogenase

Improved Alkali Intercalation of Carbonaceous Materials in Ammonia Solution

Indirect tail states formation by thermal-induced polar fluctuations in halide perovskites

Selective Catalytic Reduction of NOx

Solvent-Aware Interfaces in Continuum Solvation

Additive free, room temperature direct homogeneous catalytic carbon dioxide hydrogenation in aqueous solution using an iron(II) phosphine catalyst

A Short Synthesis of the 2-Bromo-N,9-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-6-amine Building Block

In Situ Formation of Frustrated Lewis Pairs in a Water-Tolerant Metal-Organic Framework for the Transformation of CO2

Optimization of Lignin Extraction from Pine Wood for Fast Pyrolysis by Using γ-valerolactone-Based Binary Solvent System

A General and Facile Approach for the Electrochemical Reduction of Carbon Dioxide Inspired by Deep Eutectic Solvents