Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Lawrence T. Sein"'
Autor:
Sarajane E. Sein, Lawrence T. Sein
Publikováno v:
Journal of Chemical Education. 92:1419-1421
A system for the construction of double-sided paper models of the 14 Bravais lattices, and important crystal structures derived from them, is described. The system allows the combination of multiple unit cells, so as to better represent the overall t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d15293be1eb3893895fc413da0c56f16
https://doi.org/10.1021/acs.jchemed.5b00003
https://doi.org/10.1021/acs.jchemed.5b00003
Autor:
Lawrence T. Sein, Lakeisha L. Packer
Publikováno v:
Journal of Molecular Structure. 1026:108-116
Quantum mechanical density functional theory (DFT) calculations are reported for novel, self-assembled transition metal linked dimers of N , N ′-bis (3′-carboxy,4′-aminophenyl)-1,4-quinonediimine, with the metals manganese, iron, cobalt, nickel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3737417ad00760c22a0fbee4a23bf6dd
https://doi.org/10.1016/j.molstruc.2012.05.060
https://doi.org/10.1016/j.molstruc.2012.05.060
Publikováno v:
Journal of Molecular Structure. 1004:319-328
Density functional calculations were performed on N , N ′-bis(5′-benzimidazolyl)-1,4-quinonediimine, a novel substituted aniline “trimer”. This is the first reported symmetric quinonediimine with outer rings derived from amino-acid related st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cd90772269c79442b2f970f3341fc045
https://doi.org/10.1016/j.molstruc.2011.08.029
https://doi.org/10.1016/j.molstruc.2011.08.029
Autor:
Lawrence T. Sein
Publikováno v:
Journal of Molecular Structure. 1000:109-119
Hammett parameters σ ′ were determined from vertical ionization potentials, vertical electron affinities, adiabatic ionization potentials, adiabatic electron affinities, HOMO, and LUMO energies of a series of N , N ′ - bis (3′,4′-substituted
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ab50fd92c182139bcee8725b9b8fd103
https://doi.org/10.1016/j.molstruc.2011.06.001
https://doi.org/10.1016/j.molstruc.2011.06.001
Autor:
Lawrence T. Sein, Justine M. Pagillo
Publikováno v:
Journal of Molecular Structure. 985:299-306
Density functional calculations were performed on N,N ′-bis (2′,4′-dihydroxyphenyl)-1.4-quinonediimine, a hydroxyl-terminated quinonediimine with an additional meta-hydroxyl substituent on each outer ring. Results of the calculations were compa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d53fc872f8dc52f790a2ba6c97c614f
https://doi.org/10.1016/j.molstruc.2010.11.010
https://doi.org/10.1016/j.molstruc.2010.11.010
Autor:
Amanda F. Lashua, Lawrence T. Sein
Publikováno v:
Journal of Molecular Structure. 977:220-229
Density functional calculations were performed on N , N ′-bis(3′-carboxy,4′-aminophenyl)-1,4-quinonediimine, a carboxylic acid substituted aniline trimer. Results of the calculations were compared to experimental properties of the herein synthe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d0e6f41638cc87782de82b0b1fbbd4eb
https://doi.org/10.1016/j.molstruc.2010.05.038
https://doi.org/10.1016/j.molstruc.2010.05.038
Autor:
Amanda F. Lashua, Lawrence T. Sein
Publikováno v:
Synthetic Metals. 159:1183-1190
The variant aniline trimers, N,N′-bis (3′,4′-diaminophenyl)-1,4-quinonediimine; N,N′-bis (3′-hydroxy-,4′-aminophenyl)-1,4-quinonediimine; and N,N′-bis (3′,4′-dihydroxyphenyl)-1,4-quinonediimine were synthesized, and the properties o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e281ddde864e936b752db47ce0fddede
https://doi.org/10.1016/j.synthmet.2009.02.011
https://doi.org/10.1016/j.synthmet.2009.02.011
Autor:
Lawrence T. Sein
Publikováno v:
The Journal of Physical Chemistry A. 112:2598-2603
Quantum mechanical density functional theory (DFT) calculations are reported for N,N'-bis(4'-hydroxyphenyl)-1,4-quinonediimine [henceforth referred to as the hydroxyl terminated trimer], a derivative of previously investigated aniline trimers. Calcul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e85cc75a0305a7dc7a9d9b8bb102be98
https://doi.org/10.1021/jp076482j
https://doi.org/10.1021/jp076482j
Publikováno v:
Synthetic Metals. 143:1-12
Prototype materials based on aniline oligomers have been shown to inhibit corrosion. The electronic behavior of these aniline trimers parallels that of polyaniline (PAni), but the oligomers are a much more tractable system for analysis. The anti-corr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a62410714bfedf72e6536a427017938b
https://doi.org/10.1016/j.synthmet.2002.06.002
https://doi.org/10.1016/j.synthmet.2002.06.002
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 577:35-42
Density functional theory (DFT) calculations are used to investigate the conformational distribution and electronic structure of a hydroxy-substituted aniline trimer. The computations are validated by comparison of the theoretically predicted electro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b32052f14a8351fd22c2dee0092e6fd3
https://doi.org/10.1016/s0166-1280(01)00604-2
https://doi.org/10.1016/s0166-1280(01)00604-2