A first study of diastatides: BeAt2, BAt2 and CAt2

Lee EPF.; Wright TG.

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A first study of diastatides: BeAt2, BAt2 and CAt2

机译：diastatides的首次研究：BeAt2，BAt2和CAt2

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Effective core potentials (ECPs) augmented with large, flexible valence basis sets (tested on HAt) have been used to obtain the geometries and harmonic vibrational frequencies of the diastatide compounds BeAt2, BAt2 and CAt2 for the first time. For CAt2, the ground electronic state is calculated to be the (A) over tilde (1)A(1) state, and the lowest singlet-triplet gap is calculated to be larger than that of CI2, which is against expectations based upon electronegativity. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 20]

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《Chemical Physics Letters》 |2000年第6期|共5页
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Lee EPF.; Wright TG.;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
关键词
Ab-initio; Cl; Br; Pseudopotentials; Potentials; Accuracy; Energy; Cation; State; Sets;

机译：Ab-initio;Cl;Br;伪势;势;精度;能量;阳离子;状态;集合;

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1. A first study of diastatides: BeAt2, BAt2 and CAt2 [J] . Lee EPF., Wright TG. Chemical Physics Letters . 2000,第5a6期

机译：diastatides的首次研究：BeAt2，BAt2和CAt2
2. A first study of diastatides: BeAt2, BAt2 and CAt2 [J] . Lee EPF., Wright TG. Chemical Physics Letters . 2000,第5a6期

机译：diastatides的首次研究：BeAt2，BAt2和CAt2
3. A first study of diastatides: BeAt_2, BAt_2 and CAt_2 [J] . Edmond P. F. Lee, Timothy G. Wright Chemical Physics Letters . 2000,第5a6期

机译：diastatides的第一个研究：BeAt_2，BAt_2和CAt_2
4. Nutrition and early pregnancy in beef heifers: impacts on CAT2 abundance in utero-placental tissues [C] . EAAP International Symposium on Energy and Protein Metabolism . 2019

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6. A genetic association study in The Gambia using tagging polymorphisms in the major histocompatibility complex (MHC) class III region implicates a HLA-B associated transcript 2 (BAT2) polymorphism in severe malaria susceptibility [O] . Mahamadou Diakite, Taane G. Clark, Sarah Auburn, -1

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7. BAT2 and BAT3 polymorphisms as novel genetic risk factors for rejection after HLA-related SCT. [O] . Piras I S, Angius A, Andreani M, 2014

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8. Results of Several Toxicity Studies (Eye Irritation Study, Acute Oral Study, 28 >Day Oral Study, Reproduction Study, and Two Mutagenicity Studies) with Benzoic Acid, 2 >(Isocyanatosulfonyl Methyl)-, Methyl Ester. [R] . 2009

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A first study of diastatides: BeAt2, BAt2 and CAt2

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