QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals

Posted on August 1, 2020August 1, 2020Categories Artikel, Kimia, Komputasi, QSPR   Leave a comment on QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals

by Maykel Pérez González 1,Andrey A. Toropov 2,Pablo R. Duchowicz 3 andEduardo A. Castro 3,*1Department of Drug Design, Experimental Sugar Cane Station “Villa Clara-Cienfuegos”, Ranchuelo, Villa Clara, C.P. 53100, Cuba2Vostok Holding Innovation Company, Sadik Azimov 4th Street, 15, Tashkent 700000, Uzbekistan3INIFTA, Suc.4, C.C. 16, La Plata 1900, Argentina*Author to whom correspondence should be addressed.Molecules2004, 9(12), 1019-1033; https://doi.org/10.3390/91201019Received: 8 July 2004 / Accepted: 4 August 2004 / Published: 31 December 2004Download PDFBrowse Figure Abstract We report the results of a calculation of the normal boiling points of a representative … Continue reading “QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals”

Estimasi Properti : Titik Didih

Posted on August 1, 2020August 1, 2020Categories Komputasi, QSPR   Leave a comment on Estimasi Properti : Titik Didih

Catatan kuliah dari Dr. Hiroshi Yamamoto Program yang disediakan Pirika. Periksa peramban HTML5 akan berjalan dengan peramban ini.  Metode jaringan saraf Pirika (JAVA versi 2004.11.14) Metode Joback (JAVA versi 2004.11.14) Metode Joback(HTML5 versi 2011.4.16, dengan Properti Lain)PirikaLight(JAVA versi 2009.9.15, dengan Properti Lainnya)Hubungan Temperatur-Tekanan Uap (HTML5 versi 2011.6.13 simulator Simulator YMB (HTML5 versi 2011.6.10, perlu kode sandi untuk menggunakan fungsi penuh) Versi terbaru diimplementasikan ke dalam HSPiP ver.4 (Prediksi Y) . Jika pengunjung korporat ingin menggunakan versi lengkap, silakan beli HSPiP. Abstrak HSPiP (2013.1.18) Cara membeli HSPiP BP at Reduced pressure (JAVA versi 2004.11.14) Definisi: Titik … Continue reading “Estimasi Properti : Titik Didih”