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Gaussian inc fox gaussian 09, revision b.01
Fox Gaussian 09, Revision B.01, supplied by Gaussian inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/fox+gaussian+09%2C+revision+b%2E01/gaussian09/10__1002_slash_slct__202400150-159-27-29
Average 90 stars, based on 1 article reviews
fox gaussian 09, revision b.01 - by Bioz Stars, 2026-10
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Article Title: Asymmetric hydrolytic kinetic resolution with recyclable polymeric Co(iii)–salen complexes: a practical strategy in the preparation of (S)-metoprolol, (S)-toliprolol and (S)-alprenolol: computational rationale for enantioselectivity
Article Snippet: Please note that technical editing may introduce minor changes to the text and/or graphics, which may alter content.. The journal’s standard Terms & Conditions and the Ethical guidelines still apply.. In no event shall the Royal Society of Chemistry be held responsible for any errors or omissions in this Accepted Manuscript or any consequences arising from the use of any information it contains.

Article Title: DFT study on the Stereoselectivity of Asymmetric Synthesis of <i>C, N</i>‐Cyclic Azomethine Imines with Allyl Alkyl Ketones
Article Snippet: Based on the density functional theory, the stereoselectivity of the asymmetric synthesis of tetrahydroisoquinolinopyrazole derivatives by the cycloaddition reaction of C, N-cyclic azomethine imines with allyl alkyl ketones which was catalyzed using a chiral primary amine is studied theoretically.. The results demonstrate that the four chiral transition states (TS-1R2R, TS1R2S, TS-1S2R and TS-1S2S) are formed by the reaction of dienamine intermediate with C, N-cyclic azomethine imine, and the reaction barrier of TS-1R2S is in the lowest level (ΔG= 6.98 kcal/mol).. The consequence reveal that the 1R2S configuration product is formed by TS-1R2S transition state.

Article Title: DFT studies on hydrogen-bonding, Stacking, and XH···π-Bonded systems in presence of external electric field
Article Snippet: Effect of external electric field on interaction energy as well as stability of the hydrogen-bonding, stacking, and OAH pbonded systems are analyzed in the light of density functional theory (DFT) and conceptual DFT.. Interaction energy and stability measured in terms of global hardness and highest occupied molecular orbital energy of the considered systems are observed to be sensitive toward the strength and direction of the applied external electric field.. The curvature of the potential energy surfaces gets changed in presence of an external electric field.

Article Title: Cyclic Bis-porphyrin-Based Flexible Molecular Containers: Controlling Guest Arrangements and Supramolecular Catalysis by Tuning Cavity Size.
Article Snippet: Three cyclic zinc(II) bisporphyrins (CB) with highly flexible linkers are employed as artificial molecular containers that efficiently encapsulate/coordinate various aromatic aldehydes within their cavities.. Interestingly, the arrangements of the guests and their reactivity inside the molecular clefts are significantly influenced by the cavity size of the cyclic containers.. In presence of polycyclic aromatic aldehydes such as 3-formylperylene as a guest, the cyclic bisporphyrin host having smaller cavity (CB1) forms 1:1 sandwich complex.

Article Title: BODIPY as electron withdrawing group for the activation of double bonds in asymmetric cycloaddition reactions †Electronic supplementary information (ESI) available. CCDC 1880124 . For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c9sc00959k
Article Snippet: Fox Gaussian 09, Revision B.01, Gaussian, Inc., Wallingford CT, 2010.



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https://www.bioz.com/product/fox+gaussian+09%2C+revision+b%2E01/gaussian09/10__1002_slash_slct__202400150-159-27-29
Average 90 stars, based on 1 article reviews
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