Experimental and computational investigation of novel dihydrated organic single crystal of 2,4,6-triaminopyrimidine and 3,5-dintrobenzoic acid: Linear and nonlinear optical response with limiting performance

Cocrystallization of 2,3-dimethylquinoxaline with 3,5-dinitrobenzoic acid: Crystal structure, Hirshfeld surface, spectroscopic features and DFT studies

(2019) Mohd Faizan et al.   JOURNAL OF MOLECULAR STRUCTURE

Experimental and quantum chemical studies on SHG, Z-scan and optical limiting investigation of 2-amino-5-bromopyridinium trifluoroacetate single crystal for optoelectronic applications

(2019) M. Saravanakumar et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Room-Temperature Ferroelectricity in an Organic Cocrystal

(2018) Ren A. Wiscons et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Binary and ternary co-crystals and molecular salts of 3,5-dinitrobenzoic acid: A many-faceted supramolecular reagent

(2018) Tania N. Hill et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, structural, hirshfeld surface, spectroscopic studies and quantum chemical calculation of the proton transfer complex between 2-amino-4-hydroxy-6-methylpyrimidine and salicylic acid

(2018) Ziya Afroz et al.   JOURNAL OF MOLECULAR STRUCTURE

Experimental vibrational spectroscopy (FTIR and FT-Raman) of D-tryptophan and its anharmonic theoretical studies using density functional theory

(2018) Mohd Faizan et al.   JOURNAL OF MOLECULAR STRUCTURE

Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

(2018) Mohd Faizan et al.   JOURNAL OF MOLECULAR STRUCTURE

Design, synthesis, and biological evaluation of m-amidophenol derivatives as a new class of antitubercular agents

(2018) Niu-niu Zhang et al.   MedChemComm

Isomorphic repeat units for putative information-bearing H-bonded duplexes. Part I. Pyrimidine base pairs with polyamide backbone

(2018) Esther Chingbiaknem et al.   Computational and Theoretical Chemistry

Structural, vibrational and electronic absorption characteristics of the monohydrate organic salt of 2-amino-5-bromo-6-methyl-4-pyrimidinol and 2,3-pyrazinedicarboxylic acid: A combined experimental and computational study

(2018) Mohd Faizan et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, Crystal Growth, Physio-chemical Characterization and Quantum Chemical Calculations of NLO Active Metal-Organic Crystal: Dibromo (4-Hydroxy-L-Proline) Cadmium (II) for Nonlinear Optical Applications

(2018) Boopathi Kittusamy et al.   NEW JOURNAL OF CHEMISTRY

Anharmonic vibrational and electronic spectral study of 2-amino-4-hydroxy-6–methylpyrimidine: A combined experimental (FTIR, FT-Raman, UV–Vis) and theoretical (DFT, MP2) approach

(2017) Mohd Faizan et al.   JOURNAL OF MOLECULAR STRUCTURE

Chemical synthesis, crystal structure, vibrational spectroscopy, non-linear optical properties and DFT calculation of bis (2,6-diaminopyridinium) sulfate monohydrate

(2017) Chaouki Ben Hassen et al.   JOURNAL OF MOLECULAR STRUCTURE

Computational, spectral and structural studies of a new non linear optical crystal: 2-hydroxy pyridinium 3,5-dinitrobenzoate

(2017) K. Sathya et al.   JOURNAL OF MOLECULAR STRUCTURE

Structural, vibrational and DFT studies of di-(pipecolinium acid) squarate

(2017) Elżbieta Bartoszak-Adamska et al.   VIBRATIONAL SPECTROSCOPY

Computational studies on linear, second and third-order nonlinear optical properties of novel styrylquinolinium dyes

(2016) A. Karakas et al.   CHEMICAL PHYSICS LETTERS

Salt or cocrystal of salt? Probing the nature of multicomponent crystal forms with infrared spectroscopy

(2016) Cameron Capeletti da Silva et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Vibrational and electronic spectral analysis of 2,3-pyrazinedicarboxylic acid: A combined experimental and theoretical study

(2016) Sheeraz Ahmad Bhat et al.   SPECTROSCOPY LETTERS

Synthesis, linear and nonlinear optical properties of a new dimethine cyanine dye derived from phenothiazine

(2016) Reda M. El-Shishtawy et al.   RSC Advances

Enhancement of Optical, Piezoelectric, and Mechanical Properties in Crystal Violet Dye-Doped Benzophenone Crystals Grown by Czochralski Technique

(2015) Harsh Yadav et al.   CRYSTAL GROWTH & DESIGN

IR spectroscopy as a probe for C–H⋯X hydrogen bonded supramolecular synthons

(2015) Subhankar Saha et al.   CRYSTENGCOMM

Theoretical investigation of second hyperpolarizability of trans-polyacetylene: Comparison between experimental and theoretical results for small oligomers

(2015) Ageo Meier de Andrade et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Characterization and Structure Analysis of Cefodizime Sodium Solvates Crystallized from Water and Ethanol Binary Solvent Mixtures

(2014) Zengkun Liu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Molecular structure, anharmonic vibrational analysis and electronic spectra of o-, m-, p-iodonitrobenzene using DFT calculations

(2013) Mohammad Jane Alam et al.   JOURNAL OF MOLECULAR STRUCTURE

Structural and Physicochemical Aspects of Dasatinib Hydrate and Anhydrate Phases

(2012) Saikat Roy et al.   CRYSTAL GROWTH & DESIGN

OLEX2: a complete structure solution, refinement and analysis program

(2009) Oleg V. Dolomanov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM

Mercury CSD 2.0– new features for the visualization and investigation of crystal structures

(2008) Clare F. Macrae et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY