Chemexpress, Author at Painslibrary

{Online|On-line|On the internet|On the web|On the net|On line} tools to {easily|effortlessly|very easily|simply|quickly|conveniently} {build|develop|construct|create|make} augmented reality models of biomolecules that run {right|correct|proper|appropriate|suitable|ideal} {on the web|on the internet|on the net}

Chemexpress October 29, 2024 0 Comments

Abstract. {Several|A number of|Numerous|Many|Various|Quite a few} groups {developed|created} {in the|within the|inside the} {last|final} years augmented and virtual reality (AR/VR) {programs|applications} and apps to visualize 3D molecules, most rather static, {limited|restricted}…

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Ultrafast intersystem crossing in xanthone from wavepacket dynamics

Chemexpress October 29, 2024 0 Comments

Most aromatic ketones containing first-row {elements|components} undergo unexpectedly {fast|quick|quickly|rapidly|rapid|speedy} intersystem crossing in {few|couple of|handful of} tens of picoseconds {and a|along with a|as well as a|plus a|and also a|in addition to…

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Conformational Sampling for Transition State Searches on a Computational {Budget|Spending budget|Price range}

Chemexpress October 29, 2024 0 Comments

Transition state searches {are the|would be the|will be the} basis for characterizing reaction mechanisms and activation energies, and are {thus|therefore|hence|as a result} central to myriad chemical applications. {Nevertheless|Nonetheless}, {common|typical|frequent|widespread|prevalent|popular} search…

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Solvent controlled selective photocatalytic oxidation of benzyl alcohol {over|more than} Ni@C/TiO2

Chemexpress October 29, 2024 0 Comments

The oxidation of aromatic alcohols to {produce|create|generate|make} carbonyl compounds is of {great|fantastic|excellent|wonderful|good|terrific} significance in fine chemical production. The {traditional|conventional|standard|classic|regular} oxidation produces waste gas and pollutes the {environment|atmosphere} {during|throughout|in the course…

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An Electric Field–Based {Approach|Method|Strategy} for Quantifying Volumes and Radii of Chemically {Affected|Impacted} Space

Chemexpress October 28, 2024 0 Comments

Chemical shape and size play a {critical|crucial|vital|essential|important} {role|function|part} in chemistry. The van der Waal (vdW) radii, a familiar manifold {used|utilized|employed|utilised|applied|made use of} to quantify size by assuming overlapping spheres, {provides|offers|gives|supplies|delivers}…

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Hydrogenolysis cleavage of Csp2-Csp3 bond {over|more than} a metal-free NbOPO4 catalyst

Chemexpress October 28, 2024 0 Comments

Ru/NbOx catalysts, which combine the merits of facile hydrogen activation, {strong|powerful|robust|sturdy} binding to benzene ring {and the|and also the|as well as the|along with the|plus the} presence of Brønsted acid {sites|websites|web…

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Asymmetric Synthesis of Propargylic alfa-Chiral Tertiary Amines by Reductive Alkynylation of Tertiary Amides {Using|Utilizing|Making use of|Employing|Working with|Applying} Ir/Cu Tandem Catalysis

Chemexpress October 28, 2024 0 Comments

The {development|improvement} of an asymmetric protocol for the reductive alkynylation of amides to access {important|essential|crucial|critical|significant|vital} alfa-chiral tertiary propargylic amines is reported {using|utilizing|making use of|employing|working with|applying} tandem Ir-catalyzed hydrosilylation/enantioselective Cu-catalyzed alkynylation.…

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Heterogeneous Catalysts in Grammar {School|College}

Chemexpress October 28, 2024 0 Comments

The discovery of new catalytically active materi-als {is one of the|is among the|is amongst the} holy grails of computational chemistry as ithas the {potential|possible|prospective} to accelerate the adoption of renewable…

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Computational Assessment and Understanding of C6 {Product|Item|Solution} Selectivity for Chromium Phosphinoamidine Catalyzed Ethylene Trimerization

Chemexpress October 28, 2024 0 Comments

{One|1|A single|One particular} {approach|method|strategy} to selectively {generate|produce|create} 1-hexene is {through|via|by means of|by way of} ethylene trimerization {using|utilizing|making use of|employing|working with|applying} {highly|extremely|very|hugely} active Cr N-phosphinoamidine catalysts ((P,N)Cr). {Depending on|Based on|According to}…

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Visualizing the three-step freezing {process|procedure|method|approach|course of action} and three-phase reaction not predicted by the (NH4) 2SO4/H2O phase diagram

Chemexpress October 28, 2024 0 Comments

{According to|Based on|In accordance with|In line with|As outlined by} the {conventional|standard|traditional} phase diagrams, aqueous {solutions|options} freeze {at the|in the} liquidus and are frozen/solid {below|beneath|under} the eutectic solidus. Herein, {using|utilizing|making use…

Ultrafast intersystem crossing in xanthone from wavepacket dynamics

Conformational Sampling for Transition State Searches on a Computational {Budget|Spending budget|Price range}

Solvent controlled selective photocatalytic oxidation of benzyl alcohol {over|more than} Ni@C/TiO2

An Electric Field–Based {Approach|Method|Strategy} for Quantifying Volumes and Radii of Chemically {Affected|Impacted} Space

Hydrogenolysis cleavage of Csp2-Csp3 bond {over|more than} a metal-free NbOPO4 catalyst

Asymmetric Synthesis of Propargylic alfa-Chiral Tertiary Amines by Reductive Alkynylation of Tertiary Amides {Using|Utilizing|Making use of|Employing|Working with|Applying} Ir/Cu Tandem Catalysis

Heterogeneous Catalysts in Grammar {School|College}

Computational Assessment and Understanding of C6 {Product|Item|Solution} Selectivity for Chromium Phosphinoamidine Catalyzed Ethylene Trimerization

Visualizing the three-step freezing {process|procedure|method|approach|course of action} and three-phase reaction not predicted by the (NH4) 2SO4/H2O phase diagram

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