Synthesis, crystal structure, Hirshfeld surface, DFT calculations, Z-scan and nonlinear optical studies of novel flourinated hexahydropyrimidine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129484 ◽

2020 ◽

pp. 129484

Author(s):

G. Kavitha ◽

A. Dhandapani ◽

B. Gunasekaran ◽

M. Suresh

Keyword(s):

Crystal Structure ◽

Dft Calculations ◽

Nonlinear Optical ◽

Hirshfeld Surface ◽

Optical Studies

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Tetra(4-methoxyanilinium) hexachlorostannnate (IV), dichloride: Synthesis, crystal structure, hirshfeld surface analysis, DFT calculations, thermal properties and third-harmonic generation measurement of nonlinear optical susceptibility

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.129935 ◽

2021 ◽

Vol 1231 ◽

pp. 129935

Author(s):

Amina Chachoua ◽

Rafika Bouchene ◽

Fadila Berrah ◽

Karim Bouchouit ◽

Sofiane Bouacida

Keyword(s):

Crystal Structure ◽

Thermal Properties ◽

Dft Calculations ◽

Harmonic Generation ◽

Nonlinear Optical ◽

Third Harmonic Generation ◽

Hirshfeld Surface ◽

Nonlinear Optical Susceptibility ◽

Third Harmonic ◽

Optical Susceptibility

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Synthesis, Crystal Structure, Biological Evaluation, DFT Calculations and Third Order Nonlinear Optical Studies of Pyrazolines

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130780 ◽

2021 ◽

pp. 130780

Author(s):

Swarnagowri Nayak ◽

Vinay Parol ◽

Gangadhar Hari ◽

K.S.R. Pai ◽

Rajeev K. Sinha ◽

...

Keyword(s):

Crystal Structure ◽

Dft Calculations ◽

Nonlinear Optical ◽

Biological Evaluation ◽

Optical Studies ◽

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Crystal structure, Hirshfeld surface, DFT calculations of guanidinium 4-hydroxybenzoate monohydrate (GuB) single crystal: A potential candidate for nonlinear optical applications

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129736 ◽

2021 ◽

Vol 1229 ◽

pp. 129736

Author(s):

S. Nandhini ◽

P. Murugakoothan

Keyword(s):

Crystal Structure ◽

Dft Calculations ◽

Single Crystal ◽

Nonlinear Optical ◽

Hirshfeld Surface ◽

Potential Candidate ◽

Optical Applications ◽

Nonlinear Optical Applications

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Growth, crystal structure, Hirshfeld surface analysis, DFT and nonlinear optical studies of bis(4-methoxybenzylammonium) tetrachloridocadmate(II)

10.1063/5.0017010 ◽

2020 ◽

Author(s):

S. Ananda ◽

Hussien Ahmed Khamees ◽

N. R. Bhavya ◽

M. Mahendra

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Nonlinear Optical ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Optical Studies

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Synthesis, spectral and X-ray crystal structure of 3-(3-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide: Hirshfeld surface, DFT calculations and thermo-optical studies

Chemical Data Collections ◽

10.1016/j.cdc.2018.01.001 ◽

2018 ◽

Vol 13-14 ◽

pp. 40-59 ◽

Author(s):

Karthik Kumara ◽

A. Dileep Kumar ◽

K. Ajay Kumar ◽

N.K. Lokanath

Keyword(s):

Crystal Structure ◽

Dft Calculations ◽

Hirshfeld Surface ◽

Optical Studies ◽

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Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline derivative (IZQ) as anti-cancer drug

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130004 ◽

2021 ◽

Vol 1232 ◽

pp. 130004

Author(s):

Nadeem Abad ◽

Hamdi Hamid Sallam ◽

Fares Hezam Al-Ostoot ◽

Hussien Ahmed Khamees ◽

Sultan A. Al-horaibi ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Dynamics ◽

Dft Calculations ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Cancer Drug ◽

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A new complex of Zinc (II) with sulfamethoxazole ligand: Synthesis, crystal structure, Hirshfeld surface analysis, thermal properties, DFT calculations and antibacterial/antifungal activities

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130903 ◽

2021 ◽

pp. 130903

Author(s):

Imane Habila ◽

Mouna Saoudi ◽

Fadila Berrah ◽

Belkacem Benmerad ◽

Mhamed Boudraa ◽

...

Keyword(s):

Crystal Structure ◽

Thermal Properties ◽

Dft Calculations ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Antifungal Activities ◽

Ligand Synthesis

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Crystal structure, High-resolution X-ray diffraction and Hirshfeld surface analysis of a novel third-order nonlinear optical crystal: Diisopropylammonium oxalate

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131177 ◽

2021 ◽

pp. 131177

Author(s):

Mahak Vij ◽

Harsh Yadav ◽

Sahil Goel ◽

Nikita Vashistha ◽

Sonia ◽

...

Keyword(s):

Crystal Structure ◽

High Resolution ◽

Surface Analysis ◽

Nonlinear Optical ◽

Hirshfeld Surface ◽

Nonlinear Optical Crystal ◽

X Ray Diffraction ◽

Third Order ◽

X Ray ◽

Optical Crystal

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Structure–property relation and third-order nonlinear optical studies of two new halogenated chalcones

Zeitschrift für Kristallographie - Crystalline Materials ◽

10.1515/zkri-2017-2098 ◽

2017 ◽

Vol 0 (0) ◽

Author(s):

Huey Chong Kwong ◽

M. S. Rakesh ◽

C. S. Chidan Kumar ◽

Shivaraj R. Maidur ◽

Parutagouda Shankaragouda Patil ◽

...

Keyword(s):

Crystal Structure ◽

Nonlinear Optical ◽

Structure Property ◽

Optical Studies ◽

Third Order ◽

Nlo Properties ◽

Chalcone Derivatives ◽

Property Relation

AbstractIn the present work, the crystal structure and third-order nonlinear optical (NLO) properties of two novel chalcone derivatives namely (E)-3-(4-bromo-2-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one (

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Crystal structure, Hirshfeld surface analysis and thermal behavior of diisopropylammonium succinate, a novel third-order nonlinear optical crystal

Journal of Materials Science ◽

10.1007/s10853-020-05181-6 ◽

2020 ◽

Vol 55 (36) ◽

pp. 16900-16913

Author(s):

Mahak Vij ◽

Harsh Yadav ◽

Nikita Vashistha ◽

Manju Kumari ◽

Hemant Kumar Verma ◽

...

Keyword(s):

Crystal Structure ◽

Thermal Behavior ◽

Surface Analysis ◽

Nonlinear Optical ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Nonlinear Optical Crystal ◽

Third Order ◽

Optical Crystal

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