WebbAll branches of chemistry (e.g., physical, organic, inorganic, polymer, biological, materials, etc.) are included. Overviews should summarize recent progress in a specific field and should be written in a style that addresses the broad theoretical and computational chemistry community; they are normally restricted to 30,000 characters, including tables … Webb16 maj 2007 · Theoretical Chemistry Accounts. Theory, Computation, and Modeling. Theoretical Chemistry Accounts. Volumes and issues. Volume 120, issue 1-3. Search …

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Webb13 apr. 2024 · To accurately map the B-cell linear epitopes of lysozyme (LYS) in eggs, five bioinformatics tools were first used to obtain the mimotopes. Afterward, based on the Chinese egg-allergic sera samples screened by the indirect enzyme-linked immunosorbent, the epitopes possessing the capability of binding to IgG/IgE were mapped at both pooled … WebbVolume 117 January - May 2007. May 2007, issue 5-6. Theoretical and Computational Chemistry in Italy. April 2007, issue 4. March 2007, issue 3. February 2007, issue 2. … self-attention with linear complexity

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Webb30 nov. 2002 · Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS) and IR carbonyl group wave numbers [ν(C3═O)] were studied using dual substituent parameter (DSP) models for 5-substituted indole-2,3-diones. For the C7 atom a reverse substituent effect attributed to extended π-polarization was observed. … Theoretical Chemistry Accounts: Theory, Computation, and Modeling is a peer-reviewed scientific journal publishing original (primary) research and review articles in theoretical chemistry, physical chemistry, quantum chemistry, and computational chemistry. It was founded in 1962 as Theoretica Chimica Acta and was given its present name in 1998. The publisher is Springer Berlin Heidelberg. The impact factor of this journal is 2.233 (2014). The editor-in-chief is the team of Ca… WebbTheoretical Chemistry Accounts SCImago SJR Rank SCImago Journal Rank (SJR indicator) is a measure of scientific influence of scholarly journals that accounts for both the number of citations received by a journal and the importance or prestige of the journals where such citations come from. 0.431 Theoretical Chemistry Accounts self-attention qkv