Evaluation Of Ab-Initio Calculated Electronic Structure Of Simple Molecules Using Molecular Orbital Theory

• المؤلف الرئيسي: Samuel Eka Putra Payong Masan
• التنسيق: Theses and Dissertations NonPeerReviewed
• اللغة: English; English; English; English; English; English; English; English; English; English
• منشور في: 2020
• الموضوعات: QC170-197 Atomic physics Constitution and properties of matter Including molecular physics, relativity, quantum theory, and solid state physics; QC871-874.8 Technique, Instructions for Observers
• الوصول للمادة أونلاين: http://repository.unair.ac.id/97417/1/1.%20COVER.pdf; http://repository.unair.ac.id/97417/2/2.%20ABSTRACT.pdf; http://repository.unair.ac.id/97417/3/3.%20CONTENTS.pdf; http://repository.unair.ac.id/97417/4/4.%20CHAPTER%20I%20INTRODUCTION.pdf; http://repository.unair.ac.id/97417/5/5.%20CHAPTER%20II%20LITERATURE%20STUDY.pdf; http://repository.unair.ac.id/97417/6/6.%20CHAPTER%20III%20RESEARCH%20METHOD.pdf; http://repository.unair.ac.id/97417/7/7.%20CHAPTER%20IV%20RESULT%20AND%20DISCUSSION.pdf; http://repository.unair.ac.id/97417/8/8.%20CHAPTER%20V%20CONCLUSION.pdf; http://repository.unair.ac.id/97417/9/9.%20BIBLIOGRAPHIES.pdf; http://repository.unair.ac.id/97417/10/10.%20APPENDIX.pdf; http://repository.unair.ac.id/97417/; http://lib.unair.ac.id

Riset ini mengevaluasi struktur elektronik lima molekul sederhana yang dihasilkan oleh kalkulasi ab-initio Hartree-Fock (HF) dan Density Functional Theory(DFT) menggunakan Moleculear Orbital Theory(MOT). Lima molekul sederhana tersebut adalah H2, HLi, HBe, HO, dan HF. Struktur elektronik menentukan...