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Chemistry – A European Journal, ISSN 0947-6539, 10/2014, Volume 20, Issue 42, pp. 13692 - 13697
An effective copper‐mediated synthesis of 1,5‐dialkyl‐4‐aryl‐1,2,3‐triazoles and 1,4‐dialkyl‐5‐aryl‐1,2,3‐triazoles has been achieved by the use of different N... 
amines | triazoles | copper | NN bond formation | CN bond formation | Amines | C-N bond formation | Copper | Triazoles | N-N bond formation | AZIDE-ALKYNE CYCLOADDITION | CATALYSIS | REAGENTS | MECHANISM | CLICK CHEMISTRY | TERMINAL ALKYNES | CASCADE | ORGANIC AZIDES | BROMIDES | CHEMISTRY, MULTIDISCIPLINARY | CN bond formation | INHIBITORS | NN bond formation | Synthesis | Regioselectivity | Aromatic compounds | Amino acids | Bonding | Substrates | Aliphatic compounds | Aliphatic amines | Methodology | Aniline
Journal Article
ISSN 2050-7488, 2/2019, Volume 7, Issue 8, pp. 3664 - 3672
Developing active and stable electrocatalysts of earth-abundant elements towards the oxygen reduction reaction (ORR), oxygen evolution reaction (OER) and... 
Journal Article
Journal of Materials Chemistry. A, Materials for Energy and Sustainability, ISSN 2050-7488, 01/2019, Volume 7, Issue 8, pp. 3664 - 3672
Journal Article
Applied Physics Letters, ISSN 0003-6951, 05/2014, Volume 104, Issue 18, p. 183301
The time-of-flight (TOF) experiment is the standard method to measure the charge mobility in organic semiconductors. Typically, this measurement assumes... 
MONTE-CARLO | PHYSICS, APPLIED | HOLE TRANSPORT | INJECTION | SOLIDS | DEVICES | TIME-OF-FLIGHT | ORGANIC SEMICONDUCTORS | MOBILITIES | Transit time | Semiconductors | Computer simulation | Organic semiconductors | Charge transport | Perturbation | Carrier mobility | Experiments | Monte Carlo simulation
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 07/2018, Volume 57, Issue 13, pp. 7684 - 7693
N-(2-Hydroxyethyl)ethylenediamine-N,N',N'-triacetic acid (HEDTA, denoted as H3L in this work, and the three dissociable protons represent those of the three... 
EQUILIBRIUM-CONSTANTS | ETHYLENEDIAMINETETRAACETIC ACID | SPECIATION | ION | HANFORD DEFENSE WASTE | RAY | SCATTERING | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 10/2017, Volume 449, pp. 130 - 137
The isobaric Vapor-Liquid Equilibrium (VLE) data at 101.3 kPa were measured for the binary systems isobutyl alcohol + N, N-dimethyl acetamide (DMAC), isobutyl... 
Isobutyl alcohol | Isobutyl acetate | Vapor-liquid equilibrium | N, N-dimethyl acetamide | Cytokinins | Thermodynamics | Amides | Esters | Physical instruments | Analysis
Journal Article
Tetrahedron, ISSN 0040-4020, 06/2014, Volume 70, Issue 25, pp. 3909 - 3914
Three unique propeller-shaped helicenyl amines compounds: , -diphenyl- -naphtho[2,1- ]thieno[2,3- :3′,2′- ]dithiophene-5-yl-amine ( ), -phenyl- ,... 
Crystal structures | Helicenyl amines | Synthesis | TRIPHENYLAMINE | CHEMISTRY, ORGANIC | CRYSTAL-STRUCTURES | DERIVATIVES | DOUBLE HELICENE | Cytokinins | Amines | Thiophene | Nitrogen | Benzene
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 03/2015, Volume 119, Issue 12, pp. 2813 - 2818
We have explored the ultrafast molecular,structural dynamics associated with charge transfer in N,N,N',N'-tetramethylethylenediamine using Rydberg fingerprint... 
ELECTRON | AMINES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ENERGY-FLOW | DYNAMICS | DELOCALIZATION | CHEMISTRY, PHYSICAL | DIAMINE RADICAL CATIONS | LONE-PAIR INTERACTION | ABSORPTION-SPECTRA | RYDBERG FINGERPRINT SPECTROSCOPY | SELF-INTERACTION CORRECTION | Structure | Charge transfer | Analysis | Methyl groups | Electric properties
Journal Article
Advanced Synthesis & Catalysis, ISSN 1615-4150, 11/2018, Volume 360, Issue 22, pp. 4301 - 4305
Journal Article
15. Full Text Role of the (H2O)n (n = 1-3) cluster in the HO2 + HO → 3O2 + H2O reaction: mechanistic and kinetic studiesElectronic supplementary information (ESI) available: Table S1 displays the rate constants (cm3 molecules−1 s−1) of the HO2 + HO → 3O2 + H2O reaction within the temperature range of 240.0-425.0 K; the optimized geometrical complexes between HO2 radical and (H2O)n (n = 1-3) and the complexes between HO radical and (H2O)n (n = 1-3) at the M06-2X/aug-cc-pVTZ level of theory are respectively shown in Fig. S1; the equilibrium constants of the complexes between HO2 radical and (H2O)n (n = 1-3), as well as the complexes between HO radical and (H2O)n (n = 1-3) within the temperature range of 240.0-425.0 K are displayed in Table S2; geometrical parameters for the reaction HO2 + HO → H2O + 3O2 with the catalyst X (X = H2O, (H2O)2 and (H2O)3) optimized at the CCSD(T)/aug-cc-pVTZ//M06-2X/aug-cc-pVTZ level of theory, respectively, are described in Fig. S2-S4; zero point energies (ZPE/(kcal mol−1)), entropies (S/(cal mol−1 K−1)), relative energies (ΔE and Δ(E + ZPE)/(kcal mol−1)), enthalpies (ΔH(298 K)/(kcal mol−1)), and free energies (ΔG(298 K)/(kcal mol−1)) for complexes between HO2 radical and (H2O)n (n = 1-3) as well as complexes between HO radical and (H2O)n (n = 1-3) are listed in Table S3; zero point energies (ZPE/(kcal mol−1)), relative energies (ΔE and Δ(E + ZPE)/(kcal mol−1)), enthalpies (ΔH(298)/(kcal mol−1)), and free energies (ΔG(298)/(kcal mol−1)) for the HO2 + HO → H2O + 3O2 reaction without and with (H2O)n (n = 1-3) are listed in Tables S4, S5, S6 and S7, respectively. Table S8 displays the calculated total electronic energies (E) for the reactants, intermediates, transition states, and products for the reaction HO2 + HO2 → H2O2 + 3O2 without water, complexes between HO2 radical and H2O, and complexes between HO radical and H2O at the CCSD(T) level in conjunction with the aug-cc-pVTZ, aug-cc-pVQZ, and aug-cc-pV5Z basis sets as well as at the M06-2X/aug-cc-pVTZ level of theory. Table S9 shows the rate constants and effective rate constants (cm3 molecule−1 s−1) of the HO2 + HO → H2O + 3O2 reaction with (H2O)n (n = 1-3) within the temperature range of 240-425 K in the earth's atmosphere. Fig. S5 shows schematic energy diagr