том 114 издание 26 страницы 10338-10357

Calculation and electronic description of quadratic hyperpolarizabilities. Toward a molecular understanding of NLO responses in organotransition metal chromophores

Тип публикацииJournal Article
Дата публикации1992-12-01
scimago Q1
wos Q1
БС1
SJR5.489
CiteScore24.4
Impact factor15.6
ISSN00027863, 15205126
General Chemistry
Catalysis
Biochemistry
Colloid and Surface Chemistry
Краткое описание
This contribution explores the use of the computationally efficient, chemically-oriented INDO electronic structure model (ZINDO) in concert with perturbation theory to relate molecular quadratic hyperpolarizabilities to molecular architecture and electronic structure in transition metal chromophores. The ZINDO-derived second-order nonlinear optical responses are found to be in excellent agreement with the experiment for a variety of ferrocenyl and (arene)chromium tricarbonyl derivatives
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ГОСТ |
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Kanis D. R., Ratner M. A., Marks T. Calculation and electronic description of quadratic hyperpolarizabilities. Toward a molecular understanding of NLO responses in organotransition metal chromophores // Journal of the American Chemical Society. 1992. Vol. 114. No. 26. pp. 10338-10357.
ГОСТ со всеми авторами (до 50) Скопировать
Kanis D. R., Ratner M. A., Marks T. Calculation and electronic description of quadratic hyperpolarizabilities. Toward a molecular understanding of NLO responses in organotransition metal chromophores // Journal of the American Chemical Society. 1992. Vol. 114. No. 26. pp. 10338-10357.
RIS |
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TY - JOUR
DO - 10.1021/ja00052a035
UR - https://doi.org/10.1021/ja00052a035
TI - Calculation and electronic description of quadratic hyperpolarizabilities. Toward a molecular understanding of NLO responses in organotransition metal chromophores
T2 - Journal of the American Chemical Society
AU - Kanis, David R
AU - Ratner, Mark A
AU - Marks, Tobin
PY - 1992
DA - 1992/12/01
PB - American Chemical Society (ACS)
SP - 10338-10357
IS - 26
VL - 114
SN - 0002-7863
SN - 1520-5126
ER -
BibTex |
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BibTex (до 50 авторов) Скопировать
@article{1992_Kanis,
author = {David R Kanis and Mark A Ratner and Tobin Marks},
title = {Calculation and electronic description of quadratic hyperpolarizabilities. Toward a molecular understanding of NLO responses in organotransition metal chromophores},
journal = {Journal of the American Chemical Society},
year = {1992},
volume = {114},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021/ja00052a035},
number = {26},
pages = {10338--10357},
doi = {10.1021/ja00052a035}
}
MLA
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Kanis, David R., et al. “Calculation and electronic description of quadratic hyperpolarizabilities. Toward a molecular understanding of NLO responses in organotransition metal chromophores.” Journal of the American Chemical Society, vol. 114, no. 26, Dec. 1992, pp. 10338-10357. https://doi.org/10.1021/ja00052a035.