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Journal of Computational Chemistry, ISSN 0192-8651, 10/2018, Volume 39, Issue 28, pp. 2385 - 2396
In this study, the first comprehensive theoretical investigation of the stability of functionalized fullerene‐based cations [R‐C 60 ] + and its relationship... 
fullerenes | NBO | DFT | EDA | functionalized cations | STABILIZATION | HARTREE-FOCK | CHEMISTRY, MULTIDISCIPLINARY | AROMATICITY | ORBITAL COUPLED-CLUSTER | CHEMISTRY | GENERATION | C-60 | BOND | ELECTRON DELOCALIZATION | INDEPENDENT CHEMICAL-SHIFTS | Potential energy | Electronic structure | Aromaticity | Fullerenes | Chemical bonds | Chains | Cleavage | Cations | Buckminsterfullerene | Bonding | Elongation
Journal Article
Acta Crystallographica Section C, ISSN 2053-2296, 11/2016, Volume 72, Issue 11, pp. 813 - 818
Scorpionate (or trispyrazolylborate) ligands have seen much structural variation due to the relative ease of modifying their electronic and steric effects.... 
coordination compounds | third‐generation scorpionates | redox‐active | crystal structure | cobalt | ferrocene | thallium | trispyrazolylborate | third-generation scorpionates | redox-active | CHEMISTRY | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY | POLYPYRAZOLYLBORATE LIGANDS | Ligands | Crystallography | Chemistry
Journal Article
Journal Article
Coastal Engineering, ISSN 0378-3839, 01/2013, Volume 71, pp. 119 - 134
In the present work, the OpenFOAM® newly developed wave generation and active absorption boundary condition presented in the companion paper (Higuera et al.,... 
CFD | OpenFOAM | Run up | Two phase flow | Undertow current | Wave breaking | WAVE GENERATION | BREAKING | 3-DIMENSIONAL INTERACTION | RUNUP | ENGINEERING, CIVIL | LONG WAVES | ENGINEERING, OCEAN | MODELS | CIRCULAR ISLAND | Water waves | Engineering | Analysis | Computer programs
Journal Article
by Wang, ZJ and Li, PL and Yang, ZP and Guo, QL
JOURNAL OF LUMINESCENCE, ISSN 0022-2313, 08/2012, Volume 132, Issue 8, pp. 1944 - 1948
BaZn2(PO4)(2):Sm3+ phosphor was synthesized by a high temperature solid-state reaction in atmosphere. BaZn2(PO4)(2):Sm3+ phosphor can be efficiently excited by... 
NITRIDATION | WHITE LEDS | Luminescence | LUMINESCENCE PROPERTIES | SM PHOSPHORS | Phosphor | LIGHT-EMITTING-DIODES | BaZn2(PO4):Sm3+, R+ (R=Li, Na, K) | RARE-EARTH IONS | PHOTOLUMINESCENCE PROPERTIES | ENERGY-TRANSFER | GENERATION | OPTICS | EMISSION
Journal Article
Journal of Physics: Conference Series, ISSN 1742-6588, 01/2018, Volume 956, Issue 1, p. 12015
Conference Proceeding
by Yu, T and Zhou, B and Chan, K.W and Yuan, Y and Yang, B and Wu, Q.H
Automatica, ISSN 0005-1098, 09/2012, Volume 48, Issue 9, pp. 2130 - 2136
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 08/2016, Volume 55, Issue 36, pp. 10825 - 10829
Journal Article
by Feng, LQ and Liu, H
PHYSICS LETTERS A, ISSN 0375-9601, 03/2017, Volume 381, Issue 9, pp. 859 - 864
R-dependent high-order harmonic spectra (R is the nuclear distance) from H-2(+) have been investigated through solving the Non-Bohn-Oppenheimer time-dependent... 
Schrodinger equation | Charge-resonance-enhanced-ionization | PHYSICS, MULTIDISCIPLINARY | R-dependent molecular harmonic generation | Non-Bohn-Oppenheimer time-dependent | IONIZATION | Dissociative ionization | Ionization | Analysis
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 04/2019, Volume 1182, pp. 47 - 53
(R)-(+)-3-aminoquinuclidine was used in the synthesis of [(R)-C H N ][CuCl ] and [(R)-C H N ][CuBr ] , which both contain similar [CuX ] anions (X = Cl or Br).... 
Second harmonic generation | Chiral hybrid halide | Phase transitions | Nonlinear optics | Crystal structure | ROOM-TEMPERATURE | POLAR OXIDES | CHEMISTRY, PHYSICAL | EFFICIENT | NONLINEAR-OPTICAL-PROPERTIES | Diffraction | Hydrogen | Halides | Lasers | X-rays | Crystals | Structure | Chemical Sciences
Journal Article
Monthly Notices of the Royal Astronomical Society, ISSN 0035-8711, 2017, Volume 466, Issue 2, pp. 1582 - 159
Journal Article