Zobrazeno 1 - 10
of 20
pro vyhledávání: '"C. Adant"'
Publikováno v:
The Journal of Physical Chemistry A. 101:3025-3031
The static first- and third-order polarizabilities of several benzene and thiophene derivatives are evaluated at the ab initio level via an efficacious general finite field approach. The impact of electron correlation is explored by calculating the m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9df41785db044f4ef0ee5f4bdc3110c9
https://doi.org/10.1021/jp9630129
https://doi.org/10.1021/jp9630129
Publikováno v:
International Journal of Quantum Chemistry. 56:497-507
We present the results of ab initio calculations on the first-, second-, and third-order molecular polarizabilities of urea. An efficacious general finite field perturbation approach, previously applied in the case of paranitroaniline, is extended to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff70de6b6798ca6150dad1d4fa3c08f9
https://doi.org/10.1002/qua.560560853
https://doi.org/10.1002/qua.560560853
Publikováno v:
The Journal of Chemical Physics. 101:8048-8054
We present a theoretical investigation by the sum‐over‐states formalism of the static first‐ and third‐order polarizabilities of thienylenemethylidene oligomers; following the incorporation of a single conjugated carbon between the rings, the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::54c9b2188046dccbf3bdf81d6c835dfa
https://doi.org/10.1063/1.468231
https://doi.org/10.1063/1.468231
Publikováno v:
Chemical Reviews. 94:243-278
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aebb57a4c002d3810599b622709f759f
https://doi.org/10.1021/cr00025a008
https://doi.org/10.1021/cr00025a008
Publikováno v:
Synthetic Metals. 57:3933-3940
Information technology is increasingly driving towards photonics, i.e. exploiting light signals on the basis of nonlinear optical effects [1–3]. Progress in photonic devices requires the development of novel materials exhibiting strong optical nonl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e6aeb9dc66dac874368d25d7b4d0d82
https://doi.org/10.1016/0379-6779(93)90537-7
https://doi.org/10.1016/0379-6779(93)90537-7
Publikováno v:
ChemInform. 22
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9676a19b30c6361768081bd9fe787eae
https://doi.org/10.1002/chin.199134063
https://doi.org/10.1002/chin.199134063
Publikováno v:
ChemInform. 24
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e6f89f2790374b3c080e24728b68276f
https://doi.org/10.1002/chin.199339183
https://doi.org/10.1002/chin.199339183
Publikováno v:
Synthetic Metals. 43:3559-3562
We present ab initio Hartree-Fock 3-21G calculations on the geometric structure, electronic properties, and first-order (α) and second-order (β) polarizabilities of novel donor-acceptor charge-transfer molecules where the conjugated path contains a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::617d505d1b81156c0e2a21c9e9eb2bfe
https://doi.org/10.1016/0379-6779(91)91350-j
https://doi.org/10.1016/0379-6779(91)91350-j
Publikováno v:
Journal of the American Chemical Society. 113:3715-3719
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e777d15d3009117f0a7de5ecdf68dc9
https://doi.org/10.1021/ja00010a013
https://doi.org/10.1021/ja00010a013
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