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Life (Basel, Switzerland), ISSN 2075-1729, 2019, Volume 9, Issue 4, p. 82
Space missions using probes to return dust samples are becoming more frequent. Dust collectors made of silica aerogel blocks are used to trap and bring back... 
METEORITE | Tanpopo mission | PARTICLES | origins of life | SILVER | COMPONENTS | ADSORPTION | SURFACE-ENHANCED RAMAN | DUST | DFT | SERS | adenine | GAS-MIXTURES | BIOLOGY | aerogel | Chemical Sciences | sers | tanpopo mission
Journal Article
Catalysts, ISSN 2073-4344, 2018, Volume 8, Issue 10, p. 444
...), which is a novel kind of electrochemical energy conversion and storage device. However, the QC electronic origin of the graphene cathode, which will affect the electrochemical reaction at the electrode/electrolyte interface, is still unclear... 
Defect | Quantum capacitance | Graphene | DFT calculations | Doping | defect | SUPERCAPACITORS | REDUCTION | PERFORMANCE | doping | quantum capacitance | CHEMISTRY, PHYSICAL | ENERGY-STORAGE | ANODE | graphene | CARBON CATHODE | Point defects | Capacitors | Lithium | Nitrogen | Carbon | Chemical vapor deposition | Defects | Electrodes | Electron states | Energy | Energy conversion | Electrolytes | Capacitance | Catalysis | Lithium ions | Functional groups | Cathodes | Energy storage
Journal Article
Life (Basel, Switzerland), ISSN 2075-1729, 2018, Volume 8, Issue 4, p. 42
Mineral surfaces have been demonstrated to play a central role in prebiotic reactions, which are understood to be at the basis of the origin of life... 
DFT | Formamide | IR spectroscopy | Silica | ORIGIN | BASES | silica | PREBIOTIC MOLECULES | AMINO-ACIDS | AB-INITIO | BIOLOGY | BASIS-SETS | SIMULATIONS | formamide
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 11/2018, Volume 24, Issue 61, pp. 16292 - 16301
... to one of the different organizational events that ultimately led to the emergence of life on Earth, as well as from an industrial perspective, since formation of amides is a key reaction for pharmaceutical companies... 
prebiotic chemistry | DFT | heterogeneous catalysis | peptide bonds | TiO2 | TiO | ACTIVATED ALUMINA | SOLID-PHASE | TOTAL-ENERGY CALCULATIONS | CHEMISTRY, MULTIDISCIPLINARY | INITIO MOLECULAR-DYNAMICS | TIO2-CATALYZED SYNTHESIS | ORIGIN | AMINO-ACIDS | FINDING SADDLE-POINTS | DIMER METHOD | MINERAL SURFACES | Heterogeneous catalysis | Thermodynamics | Peptides | Glycine | Force and energy | Water chemistry | Anatase | Vapor phases | Amides | Dehydration | Free energy | Prebiotics | Organic chemistry | Active sites | Catalysis | Kinetic energy | Bonding | Titanium dioxide
Journal Article
Acta Chimica Slovenica, ISSN 1318-0207, 2018, Volume 65, Issue 2, pp. 475 - 480
By means of electrospray ionization mass spectrometry (ESI-MS), it was evidenced experimentally that the rubidium cation (Rb+) reacts with the electroneutral... 
Rubidium cation | Structures | Cation-π interaction | DFT calculations | [2.2.2]Paracyclophane | COMPLEXES | IONS | CHEMISTRY, MULTIDISCIPLINARY | ORIGIN | Cation-pi interaction | PI INTERACTIONS | AMINO-ACIDS | SYSTEMS | NA+ | LIGAND | ENERGIES | BINDING | Cation–π interaction
Journal Article
Colloids and surfaces, B, Biointerfaces, ISSN 0927-7765, 2019, Volume 183, p. 110458
Journal Article
Journal of Molecular Modeling, ISSN 1610-2940, 4/2013, Volume 19, Issue 4, pp. 1789 - 1799
...ORIGINAL PAPER DFT studies of the adsorption and dissociation of H 2 O on the Al 13 cluster: origins of this reactivity and the mechanism for H 2 release Jian... 
Theoretical and Computational Chemistry | Chemistry | DFT | H 2 release | Reaction mechanism | Characterization and Evaluation of Materials | Molecular Medicine | Water dissociation | Computer Applications in Chemistry | Computer Appl. in Life Sciences | Al 13 cluster
Journal Article