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Atomistic molecular dynamics insights on water {local|nearby|neighborhood|regional} structure and dynamics on {different|various|distinct|diverse|unique|distinctive} surfaces of zeolitic-imidazolate frameworks

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{Most of|The majority of} chemistry in nanoporous {materials|supplies|components} with {small|little|tiny|modest|smaller|compact} pore sizes and windows is {known|recognized|identified} to {occur|happen|take place} {on the|around the} surface {which is|that is|which can be} in {immediate|instant|quick}…

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Facile synthesis of biomass-based carbon {materials|supplies|components} nano-Ni-based catalysts and its application in selective hydrogenation of alkynes

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The {development|improvement} of {high|higher} efficiency, {excellent|superb|outstanding|exceptional|great|fantastic} selectivity, and super activity metal catalyst for chemical selective hydrogenation of alkynes to olefin is of {great|fantastic|excellent|wonderful|good|terrific} significance {in the|within the|inside the} field {of…

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Size dependent inhibition of sperm motility bycopper particles as a path towards reversiblemale contraception

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{Effective|Efficient|Successful|Powerful|Productive|Helpful} inhibition of sperm motility {using|utilizing|making use of|employing|working with|applying} a spermicide {can be|may be|could be|might be|is often|is usually} a promising {approach|method|strategy} in {developing|creating|building|establishing} non-invasive male contraceptive agents. Copper is {known|recognized|identified}…

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An {Efficient|Effective} GaMD Multi-Level EnhancedSampling {Strategy|Technique|Method|Approach|Tactic}: Application to PolarizableForce Fields Simulations of {Large|Big|Huge|Massive|Substantial|Significant} BiologicalSystems

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We introduce a novel multi-level enhanced sampling {strategy|technique|method|approach|tactic} grounded on Gaussian accelerated Molecular Dynamics (GaMD). {First|Initial|Very first|1st|Initially}, we propose a GaMD multi-GPUs-accelerated implementation {within the|inside the} Tinker-HP molecular dynamics package.…

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Electrophilic Sulfur Reagent {Design|Style|Design and style} Enables Catalytic syn-Carbosulfenylation of Unactivated Alkenes

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A multi-component {approach|method|strategy} to structurally {complex|complicated} organosulfur {products|goods|items|merchandise|solutions} is described {via|by way of|through|by means of} the nickel-catalyzed 1,2-carbosulfenylation of unactivated alkenes with organoboron nucleophiles and tailored organosulfur electrophiles. {Key|Important|Crucial|Essential} {to…

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Enzymatic digestion of luminescent albumin-stabilized gold nanoclusters {under|below|beneath} anaerobic {conditions|circumstances|situations}: clues {to the|towards the|for the} quenching mechanism

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{Many|Numerous|Several|A lot of|Quite a few|Lots of} {of the|from the|in the|on the|with the|of your} {potential|possible|prospective} applications of albumin-stabilized gold nanoclusters (AuNC) arise {from the|in the} sensitivity of their luminescence {to the|towards…

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Time-Resolved Dynamics of {Stable|Steady} Open- and Closed-Shell Neutral Radical and Oxidized Tripyrrindione Complexes

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Decorating beads with paramagnetic rings: synthesis of inorganic-organic [10^14]rotaxanes as shown by spin counting

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The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at {Different|Various|Distinct|Diverse|Unique|Distinctive} Levels of Resolution

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A {Generally|Usually|Typically|Normally|Commonly|Frequently} Applicable Atomic-Charge Dependent London Dispersion Correction Scheme