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Theoretical Studies on the Ground and Excited States of a Series of Organoboron Quinolinolates with Extended Conjugated Chromophores.
- Published in:
- Chinese Journal of Chemistry, 2008, v. 26, n. 11, p. 1979, doi. 10.1002/cjoc.200890354
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- Article
Theoretical Studies on the Electronic and Optical Properties of a New Class of Aromatic Oligomers and Polymers.
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- Chinese Journal of Chemistry, 2008, v. 26, n. 5, p. 818, doi. 10.1002/cjoc.200890152
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- Article
Theoretical Studies on the One- and Two-Photon Absorption Properties of Double-bis(styryl)benzene Derivatives.
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- Chinese Journal of Chemistry, 2008, v. 26, n. 1, p. 77, doi. 10.1002/cjoc.200890041
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- Article
TDDFT Study of the Electronic Structure, Absorption and Emission Spectra of the Light Emitters of the Amazing Firefly Bioluminescence and Solvation Effects on the Spectra.
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- Chinese Journal of Chemistry, 2008, v. 26, n. 1, p. 55, doi. 10.1002/cjoc.200890038
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- Article
Electronic Properties of Two Series of Blue-Emitting Conjugated Oligomers and Polymers Based on Cyanostilbene: A Quantum Chemistry Study.
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- Chinese Journal of Chemistry, 2007, v. 25, n. 10, p. 1491, doi. 10.1002/cjoc.200790275
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- Article
Theoretical Investigation on the Absorption and Emission Properties of the Three Isomers of Bis(thiocyanato)(2,2′-bipyridyl)platinum(II).
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- Chinese Journal of Chemistry, 2007, v. 25, n. 9, p. 1370, doi. 10.1002/cjoc.200790254
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- Article
Theoretical Studies of the Structure, Absorption and Emission Properties of Terfluorene and Ter(9,9-diarylfluorene) Derivatives.
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- Chinese Journal of Chemistry, 2005, v. 23, n. 12, p. 1618, doi. 10.1002/cjoc.200591618
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- Article
Design and photoelectric properties of D-A-π-A carbazole dyes with different π-spacers and acceptors for use in solar cells: a DFT and TD-DFT investigation.
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- Journal of Molecular Modeling, 2019, v. 25, n. 8, p. N.PAG, doi. 10.1007/s00894-019-4101-9
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- Article
Theoretical investigation of the two-photon absorption properties of 3,6-bis(4-vinylpyridinium) carbazole derivatives-new biological fluorescent probes.
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- Journal of Molecular Modeling, 2012, v. 18, n. 6, p. 2357, doi. 10.1007/s00894-011-1258-2
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- Article
Computational study of the electronic structures, UV-Vis spectra and static second-order nonlinear optical susceptibilities of macrocyclic thiophene derivatives.
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- Journal of Molecular Modeling, 2012, v. 18, n. 1, p. 393, doi. 10.1007/s00894-011-1082-8
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- Article
From Graphene to Carbon Nanotubes: Variation of the Electronic States and Nonlinear Optical Responses.
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- ChemPhysChem, 2015, v. 16, n. 10, p. 2151, doi. 10.1002/cphc.201500173
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- Article
A Time-Dependent Density Functional Theory Investigation on the Origin of Red Chemiluminescence.
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- ChemPhysChem, 2010, v. 11, n. 1, p. 251, doi. 10.1002/cphc.200900607
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- Article
C<sub>68</sub> Fullerene Isomers, Anions, and their Metallofullerenes: Charge-Stabilizing Different Isomers.
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- ChemPhysChem, 2008, v. 9, n. 3, p. 454, doi. 10.1002/cphc.200700616
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- Article
Structures and Electronic Properties of C<sub>56</sub>Cl<sub>8</sub> and C<sub>56</sub>Cl<sub>10</sub> Fullerene Compounds.
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- ChemPhysChem, 2007, v. 8, n. 16, p. 2386, doi. 10.1002/cphc.200700405
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- Article
Structures, Stabilities, and Electronic and Optical Properties of C<sub>58</sub> Fullerene Isomers, Ions, and Metallofullerenes.
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- ChemPhysChem, 2007, v. 8, n. 7, p. 1029, doi. 10.1002/cphc.200600785
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- Article
Theoretical investigation of one- and two-photon spectra of pyrazabole chromophores.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 1, p. 37, doi. 10.1007/s00214-011-0956-2
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- Article
A theoretical study on magnesium ion-selective two-photon fluorescent probe based on benzo [h] chromene derivatives.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 1, p. 61, doi. 10.1007/s00214-011-0960-6
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- Article
Theoretical study on photophysical properties of 2,1,3-benzothiadiazole-based star-shaped molecules.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 129, n. 6, p. 833, doi. 10.1007/s00214-011-0942-8
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- Article
Theoretical design study on photophysical property of the organoboron quinolate derivatives.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 129, n. 1, p. 63, doi. 10.1007/s00214-011-0888-x
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- Article
Theoretical study of one- and two-photon absorption properties of pyrene derivatives.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 128, n. 2, p. 265, doi. 10.1007/s00214-010-0842-3
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- Article
Manipulating charge-transfer character and tuning emission color with electron-withdrawing main-group moieties in iridium-based electrophosphors: a theoretical investigation.
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- Journal of Physical Organic Chemistry, 2012, v. 25, n. 12, p. 1351, doi. 10.1002/poc.3046
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- Article
Structural, electronic, and optical properties of doubly ortho-linked quinoxaline/diphenylfluorene hybrids.
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- Journal of Physical Organic Chemistry, 2011, v. 24, n. 8, p. 646, doi. 10.1002/poc.1804
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- Article
Theoretical study of one- and two-photon absorption properties of expanded donor–acceptor calix[4]arenes.
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- Journal of Physical Organic Chemistry, 2010, v. 23, n. 2, p. 126, doi. 10.1002/poc.1593
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- Article
Theoretical design study on multifunctional triphenyl amino-based derivatives for OLEDs.
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- Journal of Physical Organic Chemistry, 2009, v. 22, n. 11, p. 1104, doi. 10.1002/poc.1565
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- Article
Erratum: Theoretical study of optical and electronic properties of the bis-dipolar diphenylamino-endcapped oligoarylfluorenes as promising light emitting materials.
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- 2007
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- Erratum
A Theoretical Investigation of Two Typical Two-Photon pH Fluorescent Probes.
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- Photochemistry & Photobiology, 2013, v. 89, n. 2, p. 300, doi. 10.1111/php.12015
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- Article
Electronic properties and nonlinear optical responses of boron/nitrogen-doped zigzag graphene nanoribbons.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 7, p. 620, doi. 10.1139/cjc-2016-0037
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- Article
The electronic properties and nonlinear optical responses of the intermediate structures in rolling graphene to carbon nanotubes.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 1, p. 50, doi. 10.1139/cjc-2015-0325
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- Article
Calculations on the electronic structure and nonlinear second-order susceptibilities of fulleropyrrolidine–tetrathiafulvalene(C[sub 60] PY–TTF) based on donor–bridge–acceptor dyads.
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- Canadian Journal of Chemistry, 2001, v. 79, n. 9, p. 1366, doi. 10.1139/v01-123
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- Article
A relative study on two-photon absorption properties of C<sub>60</sub> and C<sub>70</sub>.
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- Chinese Journal of Chemistry, 2004, v. 22, n. 7, p. 653, doi. 10.1002/cjoc.20040220708
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- Article
Second-order Nonlinear Optical Properties of a Series of Azulene Derivatives.
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- Chinese Journal of Chemistry, 2004, v. 22, n. 1, p. 38, doi. 10.1002/cjoc.20040220110
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- Article
Theoretical studies on NLO properties of push-pull multi-cycle electro-optical polymer intermediates including thiophene ring.
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- Chinese Journal of Chemistry, 2000, v. 18, n. 6, p. 820, doi. 10.1002/cjoc.20000180605
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- Article
Theoretical study on the mechanism of the <sup>3</sup>CH<sub>2</sub> + NO<sub>2</sub> reaction.
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- Journal of Computational Chemistry, 2002, v. 23, n. 11, p. 1031, doi. 10.1002/jcc.10075
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- Article
Theoretical study on the mechanism of the <sup>1</sup>CHCl + NO reaction.
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- Journal of Computational Chemistry, 2002, v. 23, n. 6, p. 625, doi. 10.1002/jcc.10057
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- Article
Structural, electronic, and optical properties of phenol-pyridyl boron complexes for light-emitting diodes.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 7, p. 1419, doi. 10.1002/qua.21993
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- Article
Theoretical study of silicon-sulfur clusters (SiS<sub>2</sub>)<sub> n</sub><sup>−</sup> ( n=1-6).
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- International Journal of Quantum Chemistry, 2001, v. 81, n. 4, p. 280, doi. 10.1002/1097-461X(2001)81:4<280::AID-QUA5>3.0.CO;2-E
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- Article