BULK CRYSTAL GROWTH, SPECTROSCOPIC, HIRSHFELD SURFACE ANALYSIS, PHYSICOCHEMICAL AND QUANTUM CHEMICAL INVESTIGATIONS ON 2-ETHYLIMIDAZOLIUM D-TARTRATE SINGLE CRYSTAL

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130448 ◽

2021 ◽

pp. 130448

Author(s):

S. Chinnasami ◽

Rajesh Paulraj ◽

P. Ramasamy

Keyword(s):

Crystal Growth ◽

Single Crystal ◽

Surface Analysis ◽

Quantum Chemical ◽

Hirshfeld Surface ◽

Bulk Crystal ◽

Hirshfeld Surface Analysis ◽

Bulk Crystal Growth

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Synthesis, crystal growth, characterization and Hirshfeld surface analysis of 2-aminopyridinium 4-aminobenzoate single crystal for non linear optical applications

Materials Research Innovations ◽

10.1080/14328917.2017.1392692 ◽

2017 ◽

Vol 23 (2) ◽

pp. 113-118 ◽

Author(s):

K. Indira ◽

T. Chitravel ◽

R. R. Saravanan ◽

P. Indumathi

Keyword(s):

Crystal Growth ◽

Single Crystal ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Growth Characterization ◽

Linear Optical ◽

Optical Applications

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Development of new L- Serine Squarate single crystal: Growth, structure, Hirshfeld surface analysis with enrichment ratio of atomic contacts

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129190 ◽

2021 ◽

Vol 1224 ◽

pp. 129190 ◽

Author(s):

Nidhi Tyagi ◽

Harsh Yadav ◽

Abid Hussain ◽

Binay Kumar

Keyword(s):

Crystal Growth ◽

Single Crystal ◽

Surface Analysis ◽

Single Crystal Growth ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Enrichment Ratio ◽

Growth Structure

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Pyrimethamine-Based Novel Co-Crystal Salt: Synthesis, Single-Crystal Investigation, Hirshfeld surface analysis and DFT inspection of the 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dichlorobenzoate (1:1) (DECB)

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130215 ◽

2021 ◽

pp. 130215

Author(s):

Muhammad Ashfaq ◽

Georgii Bogdanov ◽

Akbar Ali ◽

Muhammad Nawaz Tahir ◽

Safia Abdullah

Keyword(s):

Single Crystal ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

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Synthesis, Crystal structure characterization, Hirshfeld surface analysis, and Quantum chemical computations of Ethyl 5-(thiophene-2-carbonyl)thiazole-4-carboxylate

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130747 ◽

2021 ◽

pp. 130747

Author(s):

P. Akhileshwari ◽

K.R. Kiran ◽

M.A. Sridhar ◽

M.P. Sadashiva ◽

N.K. Lokanath

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Quantum Chemical ◽

Hirshfeld Surface ◽

Structure Characterization ◽

Hirshfeld Surface Analysis ◽

Quantum Chemical Computations

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Synthesis, single crystal (XRD), Hirshfeld surface analysis, computational study (DFT) and molecular docking studies of (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-(pyrimidine)-2-yl) benzenesulfonamide

Heliyon ◽

10.1016/j.heliyon.2021.e07724 ◽

2021 ◽

pp. e07724

Author(s):

N. Elangovan ◽

S. Sowrirajan

Keyword(s):

Molecular Docking ◽

Single Crystal ◽

Surface Analysis ◽

Computational Study ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Single Crystal Xrd ◽

Molecular Docking Studies

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Synthesis, X-ray characterization, DFT studies and Hirshfeld surface analysis of new organic single crystal: 2-(4-Methoxyphenyl)-4-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl] methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (MTBT)

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.11.060 ◽

2019 ◽

Vol 1179 ◽

pp. 809-819 ◽

Author(s):

Praveen K. Bayannavar ◽

Madivalagouda S. Sannaikar ◽

S. Madan Kumar ◽

Sanjeev R. Inamdar ◽

Saba Kauser J. Shaikh ◽

...

Keyword(s):

Single Crystal ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Dft Studies ◽

X Ray ◽

Organic Single Crystal

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Synthesis, growth, Hirshfeld surface analysis and crystal structure of a pyridine based chalcone single crystal

Materials Today Proceedings ◽

10.1016/j.matpr.2020.02.696 ◽

2020 ◽

Author(s):

Anthoni Praveen Menezes ◽

A. Jayarama ◽

H.J. Ravindra

Keyword(s):

Crystal Structure ◽

Single Crystal ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

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Single crystal structure, Hirshfeld surface analysis and DFT studies on 2‑bromo-4‑chloro-6-[(2‑hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129397 ◽

2021 ◽

Vol 1226 ◽

pp. 129397

Author(s):

Tarun Kumar Pal ◽

Subrata Paul ◽

Jewel Hossen ◽

Ashraful Alam ◽

Chanmiya Sheikh ◽

...

Keyword(s):

Crystal Structure ◽

Single Crystal ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Single Crystal Structure ◽

Hirshfeld Surface Analysis ◽

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Bulk crystal growth and nonlinear optical characterization of semiorganic single crystal: Cadmium (II) dibromide l - Proline monohydrate

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2016.10.036 ◽

2017 ◽

Vol 186 ◽

pp. 115-123 ◽

Author(s):

T. Balakrishnan ◽

S. Sathiskumar ◽

K. Ramamurthi ◽

S. Thamotharan

Keyword(s):

Crystal Growth ◽

Single Crystal ◽

Nonlinear Optical ◽

Optical Characterization ◽

Bulk Crystal ◽

Bulk Crystal Growth

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Structural, electrical, ferroelectric and mechanical properties with Hirshfeld surface analysis of novel NLO semiorganic sodium p-nitrophenolate dihydrate piezoelectric single crystal

RSC Advances ◽

10.1039/c5ra10501c ◽

2015 ◽

Vol 5 (71) ◽

pp. 57735-57748 ◽

Author(s):

Jyoti Dalal ◽

Nidhi Sinha ◽

Harsh Yadav ◽

Binay Kumar

Keyword(s):

Mechanical Properties ◽

Single Crystal ◽

Surface Analysis ◽

Optoelectronic Device ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Nlo Properties ◽

Device Applications

Structural and Hirshfeld surface analysis of sodiump-nitrophenolate dihydrate single crystal with excellent ferroelectric, mechanical, photoluminescence and NLO properties for optoelectronic device applications.

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