Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University, Indonesia
BibTex Citation Data :
@article{JKSA17420, author = {Ade Rahmani and Tri Windarti and Parsaoran Siahaan}, title = {Studi Interaksi antara Segmen Dimer Kitin dengan Molekul Kalsium Fosfat Menggunakan Metode ab Initio}, journal = {Jurnal Kimia Sains dan Aplikasi}, volume = {14}, number = {2}, year = {2011}, keywords = {kimia kuantum; kitin; kalsium fosfat}, abstract = {Chitin adalah polisakarida alami potensial yang digunakan sebagai adsorben. Salah satu contohnya adalah penggunaan kitin sebagai adsorben dalam pembuatan komposit kitin-kalsium fosfat. Penelitian ini merupakan penelitian teoritis dengan metode kimia kuantum ab initio pada tingkat teori dan himpunan dasar HF/6-31G(d,p) untuk memprediksi struktur dan interaksi yang terjadi dalam pembentukan kitin-kalsium fosfat. Hasil perhitungan menunjukkan interaksi antara kitin dimer dan kalsium fosfat. Energi interaksi antara kitin dimer dengan Ca + adalah -359,837 kJ/mol pada jarak 2,25 Å. Interaksi PO 4 3- dengan kitin dimer memiliki energi -274,770 kJ/mol pada jarak 3,20 Å. Interaksi CaPO 4 - dengan kitin dimer memiliki energi -64,058 kJ/mol pada jarak 2,50 Å. Untuk konfigurasi (kitin dimer... CaPO 4 - )II dan konfigurasi (kitin dimer... CaPO 4 - )II sebesar -21.475 kJ/mol pada jarak 3,85 Å. Energi interaksi antara kitin dimer dan Ca 3 (PO 4 ) 2 adalah -284.123 kJ/mol pada jarak 2,55 Å. Dan interaksi antara kitin dimer dengan (Ca 5 (PO 4 ) 3 OH) adalah -105,200 kJ/mol pada jarak 2,50 Å.}, issn = {2597-9914}, pages = {43--47} doi = {10.14710/jksa.14.2.43-47}, url = {https://ejournal.undip.ac.id/index.php/ksa/article/view/17420} }
Refworks Citation Data :
Article Metrics:
Last update:
Ab-initio computational study of noncovalent interaction between peptide and alkaline metal ions on HF/6-31 G** level
Last update: 2026-09-15 01:10:32
As an article writer, the author has the right to use their article for various purposes, including use by institutions that employ the author or institutions that provide funding for the research. These author rights are granted without special permission.
Authors who publish a paper in JKSA have broad rights to use their work for teaching and scientific purposes without the need to request permission, including: (i) teaching in the author's class or institution; (ii) presenting the work at meetings or conferences and distributing copies to participants; (iii) using the work in training conducted by the author or the author's institution; (iv) distributing copies to colleagues for research purposes; (v) using the work in the compilation of subsequent works by the author; (vi) including the work in a thesis or dissertation; (vii) reusing part of the article in another work, with appropriate citation; (viii) preparing derivative works, with appropriate citation; and (ix) voluntarily posting the work on open websites operated by the author or the author's institution for scientific purposes, in accordance with the CC BY-SA License.
Authors and readers may copy and redistribute the material in any medium or format, and may remix, transform, and build upon the material for any purpose, provided that they give appropriate credit by citing the article or its content, provide a link to the license, and indicate if changes were made.
The authors submitting a manuscript do so on the understanding that, if accepted for publication, the copyright of the article shall be assigned to Jurnal Kimia Sains dan Aplikasi (JKSA). Copyright encompasses the rights to reproduce and distribute the article in all forms and media, including reprints, photographs, microfilms, and any other similar reproductions, as well as translations.
Reproducing any part of this journal, storing it in a database, or transmitting it in any form or medium is permitted without written permission from JKSA. However, the original source must be properly cited in accordance with academic conventions.
JKSA, the Chemistry Department of Diponegoro University, and the Editor make every effort to ensure that no inaccurate, false, or misleading data, opinions, or statements are published in JKSA. However, the content of each article is the sole and exclusive responsibility of its authors.
The Copyright Transfer Form can be downloaded here: [Copyright Transfer Form - Indonesian] [Copyright Transfer Form - English]. The copyright form should bear the authors' original signatures and be sent to the Editor as a printed document, a scanned document sent via email, or by fax.
Prof. Adi Darmawan, Ph.D (Editor in Chief)
Editor in chief of Jurnal Kimia Sains dan Aplikasi (JKSA)
Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University
Visitor: View My Stats
Jurnal Kimia Sains dan Aplikasi is indexed in:
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
