Harmine derivatives: a comprehensive quantum chemical investigation of the structural, electronic (FMO, NBO, and MEP), and spectroscopic (FT-IR and UV–Vis) properties

被引：0

作者：

Goncagül Serdaroğlu

机构：

[1] Sivas Cumhuriyet University,Department of Mathematics and Science Education, Faculty of Education

来源：

Research on Chemical Intermediates | 2020年 / 46卷

关键词：

Harmine derivatives; FT-IR; UV–Vis; NBO; FMO; Chemical reactivity;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

页码：961 / 982

页数：21

共 50 条

[41] Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV-VIS), chemical reactivity and biological examinations of Ketorolac
Amul, B.
Muthu, S.
Raja, M.
Sevvanthi, S.
JOURNAL OF MOLECULAR STRUCTURE, 2020, 1210 (1210)
[42] Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation, conformational stability, NLO properties, HOMO-LUMO and NBO analysis of hydroxyquinoline derivatives by density functional theory calculations
Prabavathi, N.
Nilufer, A.
Krishnakumar, V.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 114 : 449 - 474
[43] Spectroscopic (FT-IR, FT-Raman, NMR and UV-Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid
Suresh, S.
Gunasekaran, S.
Srinivasan, S.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 132 : 130 - 141
[44] FT-Raman, FT-IR, UV spectroscopic, NBO and DFT quantum chemical study on the molecular structure, vibrational and electronic transitions of clopidogrel hydrogen sulfate form 1: A comparison to form 2
Srivastava, Anubha
Mishra, Rashmi
Tandon, Poonam
Bansal, A. K.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 104 : 409 - 418
[45] Spectroscopic (FT-IR, FT-Raman, and UV-visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindole
Shukla, Vikas K.
Al-Abdullah, Ebtehal S.
El-Emam, Ali A.
Sachan, Alok K.
Pathak, Shilendra K.
Kumar, Amarendra
Prasad, Onkar
Bishnoi, Abha
Sinha, Leena
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 133 : 626 - 638
[46] Molecular structure, spectroscopic (FT-IR, FT-Raman, UV-vis), NBO, thermochemistry analysis of bis(thiourea)zinc(II) chloride crystals
Meenakshisundaram, S. P.
Karthikeyan, B.
Muthu, K.
Sebastian, S.
MOLECULAR SIMULATION, 2013, 39 (07) : 584 - 595
[47] Catalytic behavior, electronic structure and spectroscopic (FT-IR, Raman, UV-vis) properties for the new ionic liquid imidazolium hydrogen sulfate
Tankov, Ivaylo
Yankova, Rumyana
JOURNAL OF MOLECULAR STRUCTURE, 2025, 1322
[48] Supramolecular assembly of guanidinium benzilate and benzylammonium benzilate: structural and spectroscopic (FT-IR, UV-Vis and photoluminescence) analyses
Sankar, Nivithaa
Sudarsanan, Nishanth
Chellathurai, Esther Jeyanthi
Seetharamai, Nagaraja Karachalacherevu
Chandran, Karnan
CHEMICAL PAPERS, 2023, 77 (10) : 6267 - 6284
[49] FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid
Karabacak, Mehmet
Cinar, Mehmet
Unal, Zeliha
Kurt, Mustafa
JOURNAL OF MOLECULAR STRUCTURE, 2010, 982 (1-3) : 22 - 27
[50] Molecular structure, spectroscopic properties (FT-IR, Micro-Raman, and UV-vis), and DFT calculations of minaprine
Gokce, H.
Bahceli, S.
OPTICS AND SPECTROSCOPY, 2014, 117 (01) : 82 - 95

← 1 2 3 4 5 →