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Regularized Second-Order Correlation {Methods|Techniques|Strategies|Approaches|Procedures|Solutions} for Extended Systems

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{While|Whilst|Although|Even though|When|Though} many-body wavefunction theory has {long|lengthy|extended} been established as a {powerful|potent|effective|strong|highly effective} framework for {highly|extremely|very|hugely} {accurate|correct|precise} molecular quantum chemistry, these {methods|techniques|strategies|approaches|procedures|solutions} have only {fairly|pretty|relatively} {recently|lately|not too long ago} been…

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Reorganization energies of {flexible|versatile} organic molecules as a {challenging|difficult} target for machine {learning|studying|understanding|finding out|mastering} enhanced virtual screening

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The molecular reorganization {energy|power} $\lambda$ strongly influences the charge carrier mobility of organic semiconductors and is {therefore|consequently|as a result|for that reason|thus|hence} {an important|an essential|a crucial|a vital} target for molecular {design|style|design…

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Versatile Post-functionalisation {Strategy|Technique|Method|Approach|Tactic} for the Formation of Modular Organic-Inorganic Polyoxometalate Hybrids

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Hybrid structures incorporating {different|various|distinct|diverse|unique|distinctive} organic and inorganic constituents are emerging as {a very|a really|an extremely|an incredibly} promising class of {materials|supplies|components} {since|because|given that|considering that|due to the fact|considering the fact that} they…

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Nanohoop Rotaxanes {via|by way of|through|by means of} Active Template Syntheses and Their {Potential|Possible|Prospective} in Sensing Applications

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The synthesis of nanohoop rotaxanes {via|by way of|through|by means of} twodifferent active template {strategies|methods|techniques|approaches|tactics} is reported. By preparingtriazole-embedded rotaxanes, the observation of metal binding events in bothorganic and aqueous {conditions|circumstances|situations}…

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Tropane and {Related|Associated|Connected} Alkaloid Skeletons {via|by way of|through|by means of} a Radical [3+3]-Annulation {Process|Procedure|Method|Approach|Course of action}

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A mild and {simple|easy|straightforward|basic|uncomplicated|very simple} protocol for the synthesis of 8-azabicyclooctane and 9-azabicyclononane derivatives is described. It {provides|offers|gives|supplies|delivers} these {valuable|beneficial|useful|worthwhile|precious|important} bicyclic alkaloid skeletons in {good|great|excellent|very good|fantastic|superior} yields and {high|higher} levels…

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Synthesis and nanoscale characterization of hierarchically assembled molecular nanosheets

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Chemical functionalization of molecular two-dimensional (2D) {materials|supplies|components} towards the assembly of hierarchical functional nanostructures is of {great|fantastic|excellent|wonderful|good|terrific} {importance|significance|value} for nanotechnology {including|such as|which includes|like} {areas|locations|places|regions} like artificial photocatalytic systems, nanobiosensors or…

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Molecular docking {studies|research} of Alpinia galanga metabolites against human placental aromatase for estrogen-dependent breast cancer {treatment|therapy|remedy}

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One-Pot Synthesis of Heteroatom-Bridged Cyclic Diaryliodonium Salts

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Virtual {data|information} augmentation {method|technique|approach|strategy|system|process} for reaction prediction in {small|little|tiny|modest|smaller|compact} dataset {scenario|situation}

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{Development|Improvement} of {small|little|tiny|modest|smaller|compact} cyclic peptides targeting the CK2α/β interface