gaussian09 revision d.01 (Gaussian inc)
90
Structured Review
Gaussian inc
gaussian09 revision d.01
Gaussian09 Revision D.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/gaussian09+revision+d%2E01/gaussian09/pmc10266058__pnas__2300516120__sapp-72-4-7
Average 90 stars, based on 1 article reviews
Gaussian09 Revision D.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/gaussian09+revision+d%2E01/gaussian09/pmc10266058__pnas__2300516120__sapp-72-4-7
Average 90 stars, based on 1 article reviews
gaussian09 revision d.01 - by Bioz Stars,
2026-09
90/100 stars
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other:Article Title: Computational study on the bifurcation mechanism in the H2CO− + CH3Cl →CH3CH2O + Cl−/H2CO + CH3 + Cl− reaction: The importance of intramolecular vibrational redistributions Article Snippet: Fox, Gaussian09 Revision D.01 Gaussian Inc. Article Title: Organic Materials with Ultrabright Phosphorescence at Room Temperature under Physiological Conditions for Bioimaging. Article Snippet: In contrast to the high efficiency of room temperature phosphorescence in crystal states, the generally utilized nanoparticles of organic materials in bioimaging demonstrated sharply decreased performance by orders of magnitude under physiological conditions, badly limiting the realization of their unique advantages.. This case, especially for organic red/near-infrared (NIR) phosphorescence materials, is not only the challenge present in reality but more importantly, for the theoretical problem of deeply understanding and avoiding the quenching effect by oxygen and water toward excited triplet states.. Herein, thanks to the intelligent molecular design by the introduction of abundant hydrophobic chains and highly-branched structures, bright and persistent red/NIR phosphorescence under physiological conditions has been realized, which demonstrated the shielding effect towards oxygen, and the strengthened intermolecular interactions to suppress the non-radiative transitions. Article Title: Modular, multi-robot integration of laboratories: an autonomous workflow for solid-state chemistry Article Snippet: Frisch, M. J. et al., Article Title: Asymmetric Catalytic Ring-Expansion of 3-Methyleneazetidines with α-Diazo Pyrazoamides towards Proline-Derivatives. Article Snippet: We realized a highly efficient formal [1,2]sigmatropic rearrangement of ammonium ylides generated from 3-methylene-azetidines and α-diazo pyrazoamides.. The employ of readily available chiral cobalt(II) complex of chiral N,N’-dioxide enabled the ring-expansion of azetidines, affording a variety of quaternary prolineamide derivatives with excellent yield (up to 99%) and enantioselectivity (up to 99% ee) under mild reaction condition.. For the rearrangement of ammonium ylides, the installation of a pyrazoamide group as a masked brick to build chiral scaffolds proved successful. Article Title: Domino Synthesis of Bicyclic 3,5-Anhydro Furanose Mimics Using a Binary Al(III) Complex/Halide Catalyst Article Snippet: Structurally diverse heterobicyclic diethers can be conveniently accessed in good yields through a catalytic domino process that is controlled by a versatile binary catalyst comprising an Al(III) aminotriphenolate complex and a bromide salt.. These bicycles, representing nonnatural, 3,5-anhydro furanose mimics, are derived from bis-epoxy substrates through a double cyclization pathway that is initiated by the activation of the free alcohol in the precursor compounds.. Various mechanistic control experiments, X-ray analyses, and computational investigations allowed us to rationalize the intricacies of this multistep process and the role of each catalyst component while revealing a clear preference for a sequence that starts with oxetane ring formation followed by an annulation step forming a fused and substituted tetrahydrofuran. Article Title: Dissecting the Diverse Reactivity of β-Diketiminate Aluminium(I) Compound towards Azaarenes: Insights from DFT Calculations. Article Snippet: Interest in aluminium(I) complexes has surged in recent decades due to the unusual role of electropositive aluminium as donor atoms in ligands.. Numerous Al(I) complexes, which were previously considered too unstable, have been isolated.. Among these, βdiketiminate aluminium(I) complex, NacNacAl(I), stands out for its unique reactivities including oxidative addition and π-bond activation. Article Title: Reducing Overprediction of Molecular Crystal Structures via Threshold Clustering Article Snippet: MJ Frisch, et al., Article Title: Electronic, spectroscopic, molecular docking and molecular dynamics studies of neutral and zwitterionic forms of 3, 4-dihydroxy-l-phenylalanine: A novel lung cancer drug Article Snippet: The 3, 4-dihydroxyl -phenylalanine (L-DOPA) is used as an effective drug for the treatment of Parkinson’s disease and also used as a precursor of many alkaloids.. In the present study, the most stable optimized structures of l -DOPA in neutral and zwitterionic forms were predicted by the B3LYP functional method with cc-pVTZ basis set.. The theoretical vibrational frequencies were assigned based on the potential energy distribution calculations using VEDA 4.0 and compared experimentally with the available FT-IR and Raman data. |