Structural and electronic properties of PbZrxTi1-xO3 (x = 0.5, 0.375): A quantum chemical study

International Journal of Quantum Chemistry ◽

10.1002/qua.10711 ◽

2003 ◽

Vol 95 (1) ◽

pp. 37-43 ◽

Author(s):

Cesar Zambrano ◽

Alfredo Sanchez ◽

Luis Miguel Procel ◽

Arvids Stashans

Keyword(s):

Electronic Properties ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Structural And Electronic Properties

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A Quantum Chemical Study On Structural And Electronic Properties Of New Pi-Conjugated Polymer Named Poly(4-Methylthioazole-2,5-Diyl)

Advanced Materials Letters ◽

10.5185/amlett.2011.6274 ◽

2012 ◽

Vol 3 (1) ◽

pp. 15-20 ◽

Author(s):

M. Amine

Keyword(s):

Electronic Properties ◽

Conjugated Polymer ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Pi Conjugated ◽

Structural And Electronic Properties

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Quantum-chemical study of structural and electronic properties of a new tin monosulfide polymorph π-SnS

Doklady Physical Chemistry ◽

10.1134/s0012501617020026 ◽

2017 ◽

Vol 472 (2) ◽

pp. 23-26 ◽

Author(s):

I. S. Popov ◽

N. S. Kozhevnikova ◽

A. N. Enyashin ◽

V. G. Bamburov

Keyword(s):

Electronic Properties ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Structural And Electronic Properties

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Quantum chemical study on influence of the substitution effect on the structural and electronic properties and intramolecular hydrogen bonding of 2-nitrophenyl hydrosulfide in ground and electronic excited state

Structural Chemistry ◽

10.1007/s11224-014-0541-0 ◽

2015 ◽

Vol 26 (4) ◽

pp. 971-987 ◽

Author(s):

Hadiseh Heydari ◽

Heidar Raissi ◽

Fariba Mollania

Keyword(s):

Hydrogen Bonding ◽

Excited State ◽

Electronic Properties ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Substitution Effect ◽

Chemical Study ◽

Intramolecular Hydrogen Bonding ◽

Structural And Electronic Properties ◽

Intramolecular Hydrogen

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Effect of axial strain on structural and electronic properties of zig-zag type of boron nitride nanotube (BNNT): a quantum chemical study

Structural Chemistry ◽

10.1007/s11224-012-0088-x ◽

2012 ◽

Vol 24 (2) ◽

pp. 409-420 ◽

Author(s):

Hossein Roohi ◽

Setoodeh Bagheri

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Quantum Chemical ◽

Axial Strain ◽

Quantum Chemical Study ◽

Chemical Study ◽

Boron Nitride Nanotube ◽

Structural And Electronic Properties

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Electronic Properties of Neutral Dyes in the Channels of Zeolite L: A Combined Spectroscopic and Quantum Chemical Study

The Journal of Physical Chemistry B ◽

10.1021/jp064986w ◽

2007 ◽

Vol 111 (1) ◽

pp. 8-15 ◽

Author(s):

Beate Bussemer ◽

Dirk Munsel ◽

Heike Wünscher ◽

Gerhard J. Mohr ◽

Ulrich-Walter Grummt

Keyword(s):

Electronic Properties ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

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First row transition metals decorated boron phosphide nanoclusters as nonlinear optical materials with high thermodynamic stability and enhanced electronic properties; A detailed quantum chemical study

Optics & Laser Technology ◽

10.1016/j.optlastec.2020.106570 ◽

2021 ◽

Vol 134 ◽

pp. 106570

Author(s):

Sundus Irshad ◽

Faizan Ullah ◽

Saima Khan ◽

Ralf Ludwig ◽

Tariq Mahmood ◽

...

Keyword(s):

Electronic Properties ◽

Thermodynamic Stability ◽

Quantum Chemical ◽

Optical Materials ◽

Nonlinear Optical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Nonlinear Optical Materials ◽

Boron Phosphide ◽

High Thermodynamic Stability

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Quantum Chemical Study of the Effect of Solvent on Structure, Electronic Properties, and Electronic Spectrum of the Carbyne Complex trans-[ClRu(PH3)4(≡C–CH=CMe2)]2+

Russian Journal of Inorganic Chemistry ◽

10.1134/s0036023620010088 ◽

2020 ◽

Vol 65 (1) ◽

pp. 69-75

Author(s):

Reza Ghiasi ◽

Maryam Rahimi ◽

Parisa Rajabali Jamaat

Keyword(s):

Electronic Properties ◽

Electronic Spectrum ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Effect Of Solvent

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Electronic properties of doped organic polymers : A quantum-chemical study

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(84)80052-4 ◽

1984 ◽

Vol 107 ◽

pp. 169-180 ◽

Author(s):

J.L. Bredas

Keyword(s):

Electronic Properties ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Organic Polymers

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Quantum chemical study of regular and irregular geometries of MgO nanoclusters: Effects on magnetizability, electronic properties and physical characteristics

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2017.06.035 ◽

2017 ◽

Vol 199 ◽

pp. 7-17 ◽

Author(s):

Sergio Manzetti ◽

Alexei Yakovlev

Keyword(s):

Electronic Properties ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Physical Characteristics ◽

Irregular Geometries

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Quantum chemical study of the effect of π-bridge on the optical and electronic properties of sensitizers for DSSCs incorporating dioxythiophene and thiophene units

Theoretical Chemistry Accounts ◽

10.1007/s00214-016-1989-3 ◽

2016 ◽

Vol 135 (10) ◽

Author(s):

Tomás Delgado-Montiel ◽

Jesús Baldenebro-López ◽

Rody Soto-Rojo ◽

Daniel Glossman-Mitnik

Keyword(s):

Electronic Properties ◽

Quantum Chemical ◽

Quantum Chemical Study ◽

Chemical Study ◽

Optical And Electronic Properties

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