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JAPANESE JOURNAL OF APPLIED PHYSICS, ISSN 0021-4922, 08/2019, Volume 58
The automatic shutdown system of alternating current (AC) etching for fabricating platinum/iridium (Pt/Ir) wire to produce a tip used for scanning tunneling... 
ORGANIC-MOLECULES | PHYSICS, APPLIED | STM
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 01/2012, Volume 134, Issue 1, pp. 3 - 6
Efficient methods have been developed to synthesize azetidine, pyrrolidine, and indoline compounds via palladium-catalyzed intramolecular amination of C–H... 
FUNCTIONALIZATION | OXIDATION | ORGANIC-MOLECULES | ACTIVATION | INSERTION | TEMPERATURE | ARYLATION | AMIDATION | ORGANOPALLADIUM(IV) CHEMISTRY | CHEMISTRY, MULTIDISCIPLINARY | C-H BONDS
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 08/2017, Volume 50, Issue 8, pp. 1797 - 1807
The main objective of this Account is to assess the challenges of transmission electron microscopy (TEM) of molecules, based on over 15 years of our work in... 
GRAPHENE | ORGANIC-MOLECULES | WALLED CARBON NANOTUBES | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 05/2012, Volume 134, Issue 17, pp. 7313 - 7316
We report the efficient synthesis of alkyl ethers by the functionalization of unactivated sp3- and sp2-hybridized C–H bonds. In the Pd(OAc)2-catalyzed,... 
FUNCTIONALIZATION | OXIDATION | OXYGEN | CROSS-COUPLING REACTIONS | ORGANIC-MOLECULES | CARBON | C-O | H INSERTION | ARYL | FORMING REDUCTIVE ELIMINATION | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Nano Letters, ISSN 1530-6984, 2019
Since transition metal dichalcogenide (TMD) semiconductors are found as two-dimensional van der Waals materials with a discrete energy bandgap, many TMD based... 
organic molecules | HAT-CN | TMD | threshold voltage | charge transfer
Journal Article
International Journal of Quantum Chemistry, ISSN 0020-7608, 01/2018, Volume 118, Issue 2, pp. e25454 - n/a
We have performed quantum‐mechanical study of charge distribution on the carbon atoms of two‐dimensional conjugated system of the model graphene ribbon. The... 
organic molecules | charge | electroconductivity | soliton | graphene ribbon
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 07/2017, Volume 139, Issue 29, pp. 9783 - 9786
Amplification of circularly polarized luminescence (CPL) is demonstrated in a triplet–triplet annihilation-based photon upconversion (TTA-UC) system. When... 
ORGANIC-MOLECULES | ENANTIOSELECTIVE SYNTHESIS | FLUORESCENCE | LIGHT | SUBSOLAR IRRADIANCE | ENERGY-TRANSFER | CHIRALITY | SEMICONDUCTOR NANOCRYSTALS | CHEMISTRY, MULTIDISCIPLINARY | LOW-POWER | ASYMMETRIC AUTOCATALYSIS
Journal Article
Nature Communications, ISSN 2041-1723, 2013, Volume 4, Issue 1, p. 1920
A molecular ultra-thin film (for example, a molecular monolayer) with graphene electrodes would allow for the realization of superior stable, transparent and... 
TRANSISTOR | ORGANIC-MOLECULES | TRANSPORT | FILMS | OXIDE | MULTIDISCIPLINARY SCIENCES | RESISTANCE | METAL JUNCTIONS
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 06/2011, Volume 115, Issue 22, pp. 11170 - 11176
Graphene and its derivatives are attractive for electrocatalytical application in fuel cells because of their unique structures and electronic properties. The... 
C: Surfaces, Interfaces, Catalysis | ELECTROCATALYTIC ACTIVITY | BASIS SETS | ORGANIC-MOLECULES | METHANOL | MOLECULAR-ORBITAL METHODS | ALLOYS | MATERIALS SCIENCE, MULTIDISCIPLINARY | PLATINUM | CHEMISTRY, PHYSICAL | GAUSSIAN-TYPE BASIS | NANOSCIENCE & NANOTECHNOLOGY | CARBON NANOTUBES
Journal Article
Chemical Science, ISSN 2041-6520, 07/2015, Volume 6, Issue 7, pp. 4267 - 4272
Although the importance of circularly polarized luminescence (CPL) materials has been widely recognized, the CPL responses of supramolecular gels are still... 
ORGANIC-MOLECULES | ENANTIOSELECTIVE SYNTHESIS | CONJUGATED POLYMERS | LIGHT | COMPLEXES | NEMATIC LIQUID-CRYSTAL | INDUCTION | CHIRALITY | CHEMISTRY, MULTIDISCIPLINARY | ASYMMETRIC AUTOCATALYSIS | AGGREGATION
Journal Article
Nature Communications, ISSN 2041-1723, 2011, Volume 2, Issue 1, p. 492
The bottom-up synthesis of hoop-shaped aromatic hydrocarbons is currently attracting interest, because they can serve as finite models of single-wall carbon... 
REAGENT | ORGANIC-MOLECULES | APPROXIMATION | MOLECULAR-ORBITAL METHODS | MULTIDISCIPLINARY SCIENCES | GROWTH | GAUSSIAN-TYPE BASIS | AROMATIC-HYDROCARBON | CHIRALITY | EXCHANGE | ELECTRON-DENSITY
Journal Article
Chemical communications (Cambridge, England), ISSN 1359-7345, 06/2016, Volume 52, Issue 45, pp. 7186 - 7204
Recent advances in the application of first-principles calculations of NMR parameters to periodic systems have resulted in widespread interest in their use to... 
Journal Article
Langmuir, ISSN 0743-7463, 05/2012, Volume 28, Issue 19, pp. 7542 - 7550
The development of fuel cells as clean-energy technologies is largely limited by the prohibitive cost of the noble-metal catalysts needed for catalyzing the... 
ELECTROCATALYTIC ACTIVITY | ORGANIC-MOLECULES | MECHANISM | MOLECULAR-ORBITAL METHODS | MATERIALS SCIENCE, MULTIDISCIPLINARY | ELECTRODES | SURFACE | CHEMISTRY, PHYSICAL | GAUSSIAN-TYPE BASIS | GRAPHITE | CHEMISTRY, MULTIDISCIPLINARY | O-2 REDUCTION
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 09/2013, Volume 9, Issue 9, pp. 3872 - 3877
Our work reveals a high dependence on charge-transfer (CT) amounts for the optimal Hartree–Fock percentage in the exchange-correlation functional of... 
ORGANIC-MOLECULES | DESIGN | THERMOCHEMICAL KINETICS | APPROXIMATION | PERFORMANCE | TRANSFER EXCITED-STATES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | NONCOVALENT INTERACTIONS | DENSITY-FUNCTIONAL THEORY | EXCHANGE | RANGE
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2011, Volume 32, Issue 7, pp. 1466 - 1474
Introduction PaDEL‐Descriptor is a software for calculating molecular descriptors and fingerprints. The software currently calculates 797 descriptors (663 1D,... 
software | molecular descriptor | open source | ORGANIC-MOLECULES | PARTITION-COEFFICIENTS | VALIDATION | GRAPH THEORETICAL APPROACH | CHEMISTRY, MULTIDISCIPLINARY | FEATURES | BIOLOGICAL-ACTIVITY | SPECTRA | QUANTITATIVE STRUCTURE | CHEMICAL DESCRIPTORS | GEOMETRY | Models, Molecular | Software | Internet | Molecular Dynamics Simulation
Journal Article
Chemical Communications, ISSN 1359-7345, 2017, Volume 53, Issue 61, pp. 8569 - 8572
The ionic liquid (IL) 1-ethyl-3-methylimidazolium acetate was utilized as a liquid-state crystallization agent to form ionic co-crystals using amphoteric... 
SALT | CHEMISTRY | ORGANIC-MOLECULES | COCRYSTAL | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
2004, 1. Aufl., Analytical techniques in the sciences, ISBN 9780470854280, 244
Provides an introduction to those needing to use infrared spectroscopy for the first time, explaining the fundamental aspects of this technique, how to obtain... 
Infrared spectroscopy
eBook
ACCOUNTS OF CHEMICAL RESEARCH, ISSN 0001-4842, 11/2014, Volume 47, Issue 11, pp. 3361 - 3368
CONSPECTUS: The interaction of molecular oxygen with titanium dioxide (TiO2) surfaces plays a key role in many technologically important processes such as... 
OXIDATION | ORGANIC-MOLECULES | SURFACE SCIENCE | ELECTRON-TRANSFER | RUTILE | REDUCTION | PARTICLES | PHOTOCATALYSIS | OXYGEN VACANCIES | CHEMISTRY, MULTIDISCIPLINARY | TIO2
Journal Article