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Structural and vibrational analysis of 2, 4-diamino-6-methyl-1, 3, 5-triazin-1-ium-hydrogen oxalate

Materials letters. X, 2022-09, Vol.15, p.100163, Article 100163

2022

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Single crystal analysis and DFT studies of the novel hybrid material-based on 2-hydroxypyridine and selenic acid

Results in Chemistry, 2024-01, Vol.7, p.101239, Article 101239

2024

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DFT, hirshfeld and molecular docking studies of a hybrid compound - 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate as a promising anti -breast cancer agent

Heliyon, 2022-08, Vol.8 (8), p.e10355, Article e10355

2022

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Synthesis and characterization of an anticoagulant 4-hydroxy-1-thiocoumarin by FTIR, FT-Raman, NMR, DFT, NBO and HOMO–LUMO analysis

Journal of molecular structure, 2013-04, Vol.1037, p.305-316

2013

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Quantum computational investigation into structural, spectroscopic, topological and electronic properties of L-histidinium-L-tartrate hemihydrate: Nonlinear optical organic single crystal

Heliyon, 2023-04, Vol.9 (4), p.e14879-e14879, Article e14879

2023

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Vibrational, DFT, and thermal analysis of 2,4,6-triamino-1,3,5-triazin-1-ium 3-(prop-2-enoyloxy) propanoate acrylic acid monosolvate monohydrate

Journal of molecular structure, 2013-12, Vol.1054-1055, p.307-320

2013

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Preparation, crystal structure, vibrational spectral and density functional studies of bis (4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate

Journal of molecular structure, 2013-10, Vol.1049, p.345-354

2013

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Density functional theory calculations, structural and spectroscopic characterization, and solvent-dependent HOMO-LUMO studies of 2-nitro-4-methylanilinium benzenesulfonate

Journal of molecular structure, 2024-12, Vol.1317, p.139147, Article 139147

2024

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Structural and vibrational characterizations, DFT calculations, second harmonic generation, molecular docking studies on L–argininium 3,3-dimethylacrylate

Materials chemistry and physics, 2023-10, Vol.307, p.128166, Article 128166

2023

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Structural, vibrational characterization and DFT calculations of urea: DL-malic acid (1:1) – co-crystal

Journal of molecular structure, 2022-12, Vol.1270, p.133930, Article 133930

2022

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Exploring the structure–property relationship of ethylenediammonium hydrogen phosphite: Insights from XRD, vibrational, DFT, and biological evaluation

Journal of molecular structure, 2024-03, Vol.1300, p.137226, Article 137226

2024

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Structural and spectroscopic characterization of the products formed in aqueous solution of hydrazine and maleic acid

Journal of molecular structure, 2023-01, Vol.1271, p.134077, Article 134077

2023

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Infrared and Raman spectra of the new melaminium salt: 2,4,6-triamino-1,3,5-triazin-1-ium hydrogenphthalate

Materials letters, 2004-02, Vol.58 (6), p.843-848

Marchewka, M.K

2004

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3-Nitrophenol–1,3,5-triazine-2,4,6-triamine (2/1)

Acta crystallographica. Section E, Structure reports online, 2013-06, Vol.69 (6), p.o827-o827

2013

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Structure, Spectroscopy, and Theoretical insights on Co-crystals of 2,4-Diamino-6-Methyl-1,3,5-Triazine Bis(4-Aminobenzoic acid) Monohydrate as a promising anti-cancer agent

Physica. B, Condensed matter, 2024-04, Vol.679, p.415807, Article 415807

2024

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Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological studies on NLO active l-argininium methanesufonate

Journal of molecular liquids, 2023-09, Vol.385, Article 122315

2023

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Structural, spectroscopic and second harmonic generation evaluation of 1,2,4-triazolinium tartrate - tartaric acid as a promising nonlinear optical material

Optical materials, 2024-01, Vol.147, p.114694, Article 114694

2024

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Crystal structure, Hirshfeld surface analysis and vibrational spectral studies on P-nitroanilinium p-toluene sulphonate single crystal

Journal of molecular structure, 2019-05, Vol.1183, p.78-86

2019

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Structure, vibrational characterization and SHG of the recrystallization product of l-phenylalanine from aqueous HCl solution

Journal of molecular structure, 2025-01, Vol.1319, p.139532, Article 139532

2025

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Exploring structure, molecular interactions, optical and thermal properties of Bis(2-Aminopyrimidinium) selenate monohydrate: A combined experimental and theoretical study

Optical materials, 2024-06, Vol.152, p.115539, Article 115539

2024

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Supramolecular structure, DFT calculation and vibrational characterization of melamin-1-ium oxalurate monohydrate

Journal of molecular structure, 2024-09, p.140132, Article 140132

2024

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Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological studies on NLO active -argininium methanesufonate

Journal of molecular liquids, 2023-09, Vol.385, p.122315, Article 122315

2023

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Molecular geometry, vibrational, NBO, HOMO-LUMO, first order hyper polarizability and electrostatic potential studies on anilinium hydrogen oxalate hemihydrate - an organic crystalline salt

Inorganic and nano-metal chemistry, 2022-01, Vol.52 (2), p.226-233

2022

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Single crystal X-ray diffraction, spectral characterization, evaluation of electronic and chemical reactivity of tert-butylammonium N-acetylglycinate monohydrate – A DFT study

Journal of molecular structure, 2020-11, Vol.1220, p.128764, Article 128764

2020

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Structure, electronic, spectroscopic and reactivity investigations of pharmacologically active compound 1–acetyl–3–indolecarboxaldehyde – An experimental and theoretical approach

Journal of molecular structure, 2018-07, Vol.1164, p.57-69

2018

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Structural and vibrational analysis of 2, 4-diamino-6-methyl-1, 3, 5-triazin-1-ium-hydrogen oxalate

Single crystal analysis and DFT studies of the novel hybrid material-based on 2-hydroxypyridine and selenic acid

DFT, hirshfeld and molecular docking studies of a hybrid compound - 2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate as a promising anti -breast cancer agent

Synthesis and characterization of an anticoagulant 4-hydroxy-1-thiocoumarin by FTIR, FT-Raman, NMR, DFT, NBO and HOMO–LUMO analysis

Quantum computational investigation into structural, spectroscopic, topological and electronic properties of L-histidinium-L-tartrate hemihydrate: Nonlinear optical organic single crystal

Vibrational, DFT, and thermal analysis of 2,4,6-triamino-1,3,5-triazin-1-ium 3-(prop-2-enoyloxy) propanoate acrylic acid monosolvate monohydrate

Preparation, crystal structure, vibrational spectral and density functional studies of bis (4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate

Density functional theory calculations, structural and spectroscopic characterization, and solvent-dependent HOMO-LUMO studies of 2-nitro-4-methylanilinium benzenesulfonate

Structural and vibrational characterizations, DFT calculations, second harmonic generation, molecular docking studies on L–argininium 3,3-dimethylacrylate

Structural, vibrational characterization and DFT calculations of urea: DL-malic acid (1:1) – co-crystal

Exploring the structure–property relationship of ethylenediammonium hydrogen phosphite: Insights from XRD, vibrational, DFT, and biological evaluation

Structural and spectroscopic characterization of the products formed in aqueous solution of hydrazine and maleic acid

Infrared and Raman spectra of the new melaminium salt: 2,4,6-triamino-1,3,5-triazin-1-ium hydrogenphthalate

3-Nitrophenol–1,3,5-triazine-2,4,6-triamine (2/1)

Structure, Spectroscopy, and Theoretical insights on Co-crystals of 2,4-Diamino-6-Methyl-1,3,5-Triazine Bis(4-Aminobenzoic acid) Monohydrate as a promising anti-cancer agent

Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological studies on NLO active l-argininium methanesufonate

Structural, spectroscopic and second harmonic generation evaluation of 1,2,4-triazolinium tartrate - tartaric acid as a promising nonlinear optical material

Crystal structure, Hirshfeld surface analysis and vibrational spectral studies on P-nitroanilinium p-toluene sulphonate single crystal

Structure, vibrational characterization and SHG of the recrystallization product of l-phenylalanine from aqueous HCl solution

Exploring structure, molecular interactions, optical and thermal properties of Bis(2-Aminopyrimidinium) selenate monohydrate: A combined experimental and theoretical study

Supramolecular structure, DFT calculation and vibrational characterization of melamin-1-ium oxalurate monohydrate

Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological studies on NLO active -argininium methanesufonate

Molecular geometry, vibrational, NBO, HOMO-LUMO, first order hyper polarizability and electrostatic potential studies on anilinium hydrogen oxalate hemihydrate - an organic crystalline salt

Single crystal X-ray diffraction, spectral characterization, evaluation of electronic and chemical reactivity of tert-butylammonium N-acetylglycinate monohydrate – A DFT study

Structure, electronic, spectroscopic and reactivity investigations of pharmacologically active compound 1–acetyl–3–indolecarboxaldehyde – An experimental and theoretical approach

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