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spartan14 software  (Wavefunction inc)

 
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    Structured Review

    Wavefunction inc spartan14 software
    Spartan14 Software, supplied by Wavefunction 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/spartan14+program/spartan%E2%80%9914/pm38132884-595-0-2
    Average 90 stars, based on 1 article reviews
    spartan14 software - by Bioz Stars, 2026-09
    90/100 stars

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    Related Articles

    Derivative Assay:

    Article Title: Enolate-Forming Phloretin Pharmacophores: Hepatoprotection in an Experimental Model of Drug-Induced Toxicity
    Article Snippet: .. To calculate hard and soft, acids and bases (HSAB) parameters for the electrophiles and nucleophiles involved in this study, the respective energies of the highest occupied molecular orbital (E HOMO ) and the lowest unoccupied molecular orbital (E LUMO ) were derived using Spartan14 software (version 1.1.8; Wavefunction Inc., Irvine, CA). ..

    Software:

    Article Title: Enolate-Forming Phloretin Pharmacophores: Hepatoprotection in an Experimental Model of Drug-Induced Toxicity
    Article Snippet: .. To calculate hard and soft, acids and bases (HSAB) parameters for the electrophiles and nucleophiles involved in this study, the respective energies of the highest occupied molecular orbital (E HOMO ) and the lowest unoccupied molecular orbital (E LUMO ) were derived using Spartan14 software (version 1.1.8; Wavefunction Inc., Irvine, CA). ..

    Article Title: Structurally Diverse Alkaloids with Anti-Renal-Fibrosis Activity from the Centipede Scolopendra subspinipes mutilans
    Article Snippet: .. The MMFF and DFT/TDDFT were performed with Spartan14 software package (Wavefunction Inc., Irvine, CA, USA) and Gaussian 09 program package. ..

    Article Title: Tetraenone A: A New β-Ionone Derivative from Tetraena aegyptia .
    Article Snippet: .. Spartan14 software (Wavefunction, Inc., Irvin, CA, USA; 2014) was used for conformational analysis using the systematic stepped method. ..

    Article Title: Structurally Diverse Alkaloids with Anti-Renal-Fibrosis Activity from the Centipede Scolopendra subspinipes mutilans
    Article Snippet: .. To establish the absolute configurations for compounds 1 and 7, the MMFF and DFT/TDDFT were performed with Spartan14 software package (Wavefunction Inc., Irvine, CA, USA) and Gaussian 09 program package. .. Conflex conformational search generated low-energy conformers within a 10 kcal/mol energy window were subjected by software CONFLEX-7.

    Article Title: Antiproliferative ent-kaurane diterpenoids isolated from the roots of Zea mays L.
    Article Snippet: Four new ent-kaurane diterpenoid maizediterpenes A-D (1–4), along with fourteen known compounds were isolated from the roots of Zea mays (maize).. Compounds 7, 15, 16 were isolated from this genus for the first time.. The planar structures of the new compounds were determined by extensive analysis of their NMR and HR-ESI-MS spectra, and the absolute configurations were established on the basis of specific rotation in association with calculated ECD spectra.

    other:

    Article Title: 2-Acetylcyclopentanone, an Enolate-Forming 1,3-Dicarbonyl Compound, Is Cytoprotective in Warm Ischemia-Reperfusion Injury of Rat Liver
    Article Snippet: To calculate hard and soft, acids and bases (HSAB) parameters for the electrophiles and nucleophiles involved in this study, the respective energies of the highest occupied molecular orbital (E HOMO ) and the lowest unoccupied molecular orbital (E LUMO ) were derived using Spartan14 (version 1.1.1) software (Wavefunction, Irvine, CA).



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