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Crystal structure and theoretical studies of derivative of imidazo-1,2,4-triazine
Crystal structure and theoretical studies of derivative of imidazo-1,2,4-triazine
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Crystal structure and theoretical studies of derivative of imidazo-1,2,4-triazine

Dybała, Izabela ; Sztanke, Krzysztof

Journal of molecular structure, 2016-09, Vol.1119, p.78-85 [Periódico revisado por pares]

Elsevier B.V

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2
Spectroscopy (FT-IR, FT-Raman), hydrogen bonding, electrostatic potential and HOMO-LUMO analysis of tioxolone based on DFT calculations
Spectroscopy (FT-IR, FT-Raman), hydrogen bonding, electrostatic potential and HOMO-LUMO analysis of tioxolone based on DFT calculations
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Spectroscopy (FT-IR, FT-Raman), hydrogen bonding, electrostatic potential and HOMO-LUMO analysis of tioxolone based on DFT calculations

Tao, Yaping ; Li, Xiaofeng ; Han, Ligang ; Zhang, Weiying ; Liu, Zhaojun

Journal of molecular structure, 2016-10, Vol.1121, p.188-195 [Periódico revisado por pares]

Elsevier B.V

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3
Crystal structure, spectroscopic investigation and thermal properties of l-lysine p-toluenesulfonate
Crystal structure, spectroscopic investigation and thermal properties of l-lysine p-toluenesulfonate
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Crystal structure, spectroscopic investigation and thermal properties of l-lysine p-toluenesulfonate

Wang, L. ; Wang, D.H. ; Zhang, G.H. ; Xu, D. ; Deng, W.X.

Journal of molecular structure, 2016-03, Vol.1108, p.179-186 [Periódico revisado por pares]

Elsevier B.V

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4
Structural, spectral analysis and DNA studies of heterocyclic thiosemicarbazone ligand and its Cr(III), Fe(III), Co(II) Hg(II), and U(VI) complexes
Structural, spectral analysis and DNA studies of heterocyclic thiosemicarbazone ligand and its Cr(III), Fe(III), Co(II) Hg(II), and U(VI) complexes
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Structural, spectral analysis and DNA studies of heterocyclic thiosemicarbazone ligand and its Cr(III), Fe(III), Co(II) Hg(II), and U(VI) complexes

Yousef, T.A. ; Abu El-Reash, G.M. ; El Morshedy, R.M.

Journal of molecular structure, 2013-08, Vol.1045, p.145-159 [Periódico revisado por pares]

Elsevier B.V

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5
Raman and infrared spectra, normal coordinate analysis and ab initio calculations of 4-Amino-2-chloropyrimidine-5-carbonitrile
Raman and infrared spectra, normal coordinate analysis and ab initio calculations of 4-Amino-2-chloropyrimidine-5-carbonitrile
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Raman and infrared spectra, normal coordinate analysis and ab initio calculations of 4-Amino-2-chloropyrimidine-5-carbonitrile

Abuelela, Ahmed M. ; Mohamed, Tarek A. ; Wilson, Lee D. ; Zoghaib, Wajdi M.

Journal of molecular structure, 2016-07, Vol.1115, p.85-93 [Periódico revisado por pares]

Elsevier B.V

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6
Structural properties and vibrational analysis of Potassium 5-Br-2-isonicotinoyltrifluoroborate salt. Effect of Br on the isonicotinoyl ring
Structural properties and vibrational analysis of Potassium 5-Br-2-isonicotinoyltrifluoroborate salt. Effect of Br on the isonicotinoyl ring
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Structural properties and vibrational analysis of Potassium 5-Br-2-isonicotinoyltrifluoroborate salt. Effect of Br on the isonicotinoyl ring

Iramain, Maximiliano A. ; Ledesma, Ana E. ; Brandán, Silvia Antonia

Journal of molecular structure, 2019-05, Vol.1184, p.146-156 [Periódico revisado por pares]

Elsevier B.V

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7
Theoretical and experimental investigation of (E)-2-([3,4-dimethylphenyl)imino]methyl)-3-methoxyphenol: Enol–keto tautomerism, spectroscopic properties, NLO, NBO and NPA analysis
Theoretical and experimental investigation of (E)-2-([3,4-dimethylphenyl)imino]methyl)-3-methoxyphenol: Enol–keto tautomerism, spectroscopic properties, NLO, NBO and NPA analysis
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Theoretical and experimental investigation of (E)-2-([3,4-dimethylphenyl)imino]methyl)-3-methoxyphenol: Enol–keto tautomerism, spectroscopic properties, NLO, NBO and NPA analysis

Demircioglu, Zeynep ; Albayrak, Cigdem ; Bueyuekguengor, Orhan

Journal of molecular structure, 2014-05, Vol.1065-1066, p.210-222 [Periódico revisado por pares]

Elsevier B.V

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8
Vibrational spectra, normal coordinate analysis, and conformation of bis(ɑ-cyanoacetylacetonato)Cu(II)
Vibrational spectra, normal coordinate analysis, and conformation of bis(ɑ-cyanoacetylacetonato)Cu(II)
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Vibrational spectra, normal coordinate analysis, and conformation of bis(ɑ-cyanoacetylacetonato)Cu(II)

Gandomi, Farzad ; Vakili, Mohammad ; Tayyari, Sayyed Faramarz

Journal of molecular structure, 2016-08, Vol.1118, p.68-74 [Periódico revisado por pares]

Elsevier B.V

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9
Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods
Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods
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Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods

Ghalla, H. ; Issaoui, N. ; Govindarajan, M. ; Flakus, H.T. ; Jamroz, M.H. ; Oujia, B.

Journal of molecular structure, 2014-02, Vol.1059, p.132-143 [Periódico revisado por pares]

Elsevier B.V

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10
Indium(III) and organotin(IV) 2-(methoxycarbonyl)benzenethiolates: Synthesis, structure and properties
Indium(III) and organotin(IV) 2-(methoxycarbonyl)benzenethiolates: Synthesis, structure and properties
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Indium(III) and organotin(IV) 2-(methoxycarbonyl)benzenethiolates: Synthesis, structure and properties

Kumar, Krishna ; Tiwari, Priyanka ; Moharana, Srikanta ; Kant, Rajni ; Bhattacharya, Subrato

Journal of molecular structure, 2022-07, Vol.1260, p.132801, Article 132801 [Periódico revisado por pares]

Elsevier B.V

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