09 revision a.02 (Gaussian inc)
90
Structured Review
Gaussian inc
09 revision a.02
09 Revision A.02, 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/09%2C+revision+a%2E02/09++revision+a+02/pm40460037-374-5-9
Average 90 stars, based on 1 article reviews
09 Revision A.02, 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/09%2C+revision+a%2E02/09++revision+a+02/pm40460037-374-5-9
Average 90 stars, based on 1 article reviews
09 revision a.02 - by Bioz Stars,
2026-09
90/100 stars
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other:Article Title: Structural Evolution and Chemical Bonding in Rare-Earth Encapsulated Magnesium Clusters: A CALYPSO-Guided DFT Study of La 2 Mg n and Lu 2 Mg n ( N = 1-20). Article Snippet: The initial geometric configurations of gas-phase doped magnesium clusters incorporating rare-earth elements (La2Mgn and Lu2Mgn, n = 1−20) were systematically explored using the CALYPSO structure prediction software.. Subsequent density functional theory (DFT) calculations were performed to conduct a comparative analysis of their structural evolution, stability, electronic properties, vibrational spectra, and chemical bonding characteristics.. Key findings reveal that both La2Mgn and Lu2Mgn clusters adopt cage-like architectures for medium sizes (n ≥ 10), with rare-earth atoms encapsulated within the magnesium framework. Article Title: Phosphonocarboxylates in Mixed-Ligated Approach with Diverse Structural Features (0D to 3D), and Studies of Non-Covalent Interactions for Revealed Proton Conduction. Article Snippet: Coordination compounds are an essential group of functional materials with different dimensionalities (0D, 1D, 2D, and 3D) depending on the metal atoms or organic linkers/ligands used.. In this study, two different phosphonocarboxylates were combined with 4,4’-bipyridine (bpy) to create mixed-ligated coordination frameworks, resulting in three distinct coordination compounds with different dimensionalities: [Co(H2O)4(4,4’bpy)2][H3L1]2•10H2O (1) with 0D, {[Zn(H2L1)(4,4’-bpy)]·H2O}n (2) with 2D, and [Co(H2O)Co2(H2L2)2(4,4’-bpy)3]n (3) with 3D structure.. Here, H4L1 = 5-Phosphonoisophthalic acid, and H5L2 = 3,5Diphosphonobenzoic acid. Article Title: Radical cascade-enabled synthesis of precision polymers with complex main-chain structures Article Snippet: 2008, 44, 4183-4185. (19) Gaussian 09, Revision A.02, Article Title: Mechanism and Origin of Nickel-Catalyzed Decarbonylative Construction of C(sp 2 )-C(sp 3 ) Bonds from Carboxylic Acids and Their Derivatives. Article Snippet: Nickel-catalyzed arylation of carboxylic acids provides a ligand-controlled chemoselectivity-switchable method for the construction of C(sp2)−C(sp3) bonds.. Here, we employed density functional theory to provide a detailed understanding of the mechanism and origin of nickel-catalyzed ligand-controlled carbonyl transformation.. This reaction generates decarbonylation products through oxidative addition, activation of C−C bonds, decarbonylation, binding of alkyl radicals with Ni(III) complexes, and final reduction elimination step. Article Title: High-Efficiency Light Emitters: 10-(Diphenylphosphoryl)-anthracenes from One-Pot Synthesis Including C–O–P to C–P(=O) Rearrangement Article Snippet: B.; Fox D. J. Gaussian 09, Article Title: Understanding the Role of Solvent Polarity and Amino Acid Composition of Cyclic Peptides in Nanotube Stability. Article Snippet: Get e-Alerts B: BIOPHYSICAL AND BIOCHEMICAL SYSTEMS AND PROCESSES | March 27, 2025 Understanding the Role of Solvent Polarity and Amino Acid Composition of Cyclic Peptides in Nanotube Stability , and The Journal of Physical Chemistry B Cite this: J. Phys.. Chem.. B 2025, 129, 14, 3590–3603 https://doi.org/10.1021/acs.jpcb.5c00400 Copyright © 2025 American Chemical Society Request reuse permissions Cite Share Jump to Rimjhim Moral Sandip Paul* Open PDF Supporting Information (1) Article Views 280 Altmetric 1 Citations Learn about these metrics Published March 27, 2025 5/29/25, 4:11 PM Understanding the Role of Solvent Polarity and Amino Acid Composition of Cyclic Peptides in Nanotube Stability | The Journal of Physica... https://pubs.acs.org/doi/10.1021/acs.jpcb.5c00400 2/34 Cyclic peptides (CPs) possess the ability to self-assemble into cyclic peptide nanotubes (CPNTs), which nd extensive applications in nanotechnology. Article Title: Exciton Transfer Simulations in a Light-Harvesting 2 Complex Reveal the Transient Delocalization Mechanism. Article Snippet: Get e-Alerts B: BIOPHYSICAL AND BIOCHEMICAL SYSTEMS AND PROCESSES | March 24, 2025 Exciton Transfer Simulations in a Light-Harvesting 2 Complex Reveal the Transient Delocalization Mechanism , , , , and The Journal of Physical Chemistry B Cite this: J. Phys.. Chem.. B 2025, 129, 13, 3345–3365 https://doi.org/10.1021/acs.jpcb.5c00320 Copyright © 2025 The Authors. Functional Assay:Article Title: Construction of an All-Bridge Carbon-Oxidized 2-Azaadamantane Skeleton and Synthesis of Two Energetic Derivatives. Article Snippet: The construction of an all-bridge-oxygenated (hetero)adamantane skeleton is a long-standing challenge.. Herein, an all-bridge carbon-oxidized 2-azaadamantane skeleton, 6,9,10-trimethoxy-2-azaadamantane-4,8-diol, was constructed via an eight-step synthetic route from 9-hydroxybicyclo[3.3.1]nonane-2,6-dione with an overall yield of 45%.. The obtained skeleton was derived into two novel high-performance energetic compounds. |