2019
DOI: 10.1139/cjc-2019-0411
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Looking back on 90 years of the Canadian Journal of Chemistry

Abstract: Looking back on 90 years of the Canadian Journal of Chemistry In honour of the milestone of the 90th anniversary, we take this opportunity to reflect on the history of the Canadian Journal of Chemistry. The journal originates from the first Canadian interdisciplinary scientific journal, published by the National Research Council of Canada, which filled a national gap in scientific reporting. In 1929, the foreword to the first issue, written by Dr. H.M. Tory (President of National Research Council), outlined th… Show more

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Cited by 2 publications
(2 citation statements)
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“…The lumiflavin was solvated by four explicit water molecules as well as a polarizable continuum model (PCM) , for water. The optimized structure of the ground electronic state, S 0 , was obtained using DFT at the B3LYP , /TZVP level of theory and is presented in Figure , showing the arrangement of water molecules around the polar end of isoalloxazine. This level of theory was chosen to align with our earlier work and previous studies, , in addition to the functional being well established and benchmarked for frequency calculations.…”
Section: Methodsmentioning
confidence: 99%
“…The lumiflavin was solvated by four explicit water molecules as well as a polarizable continuum model (PCM) , for water. The optimized structure of the ground electronic state, S 0 , was obtained using DFT at the B3LYP , /TZVP level of theory and is presented in Figure , showing the arrangement of water molecules around the polar end of isoalloxazine. This level of theory was chosen to align with our earlier work and previous studies, , in addition to the functional being well established and benchmarked for frequency calculations.…”
Section: Methodsmentioning
confidence: 99%
“…The isoalloxazine chromophore in FMN was modeled in the form of lumiflavin, simplifying the ribityl-5′-phosphate in FMN to a methyl group. The ground state, S 0 , was optimized using DFT at the B3LYP , /TZVP level of theory, and the optimized structure was characterized using harmonic frequency analysis at 298.15 K and 1 atm. In the style of Ernsting et al, the chromophore is solvated by four explicit water molecules positioned around the polar end of the isoalloxazine moiety in addition to including a polarizable continuum model (PCM) , for water.…”
Section: Methodsmentioning
confidence: 99%