Molecular structure, spectroscopic (IR, Raman, Ultra Violet-Visible) and nonlinear optical investigation on DCBLPZ: A novel semiorganic NLO material

Synthesis, growth and characterization of a new metal–organic NLO material: Dibromo bis (l-proline) Cd (II)

(2015) K. Boopathi et al.   JOURNAL OF MOLECULAR STRUCTURE

A physico-chemical approach to study the experimental and theoretical properties of l-ornithine monohydrochloride: An organic nonlinear optical material

(2015) Mohd. Shkir et al.   MATERIALS CHEMISTRY AND PHYSICS

FT-IR, molecular structure, first order hyperpolarizability, MEP, HOMO and LUMO analysis and NBO analysis of 4-[(3-acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid

(2015) Rahul Raju et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Experimental and density functional theory (DFT): A dual approach to study the various important properties of monohydrated l-proline cadmium chloride for nonlinear optical applications

(2015) Mohd. Shkir et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

First principal studies of spectroscopic (IR and Raman, UV–visible), molecular structure, linear and nonlinear optical properties of l-arginine p-nitrobenzoate monohydrate (LANB): A new non-centrosymmetric material

(2015) Mohd. Shkir et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

A dual approach to study the electro-optical properties of a noncentrosymmetric l-asparagine monohydrate

(2015) Mohd. Shkir et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis, structure, crystal growth and characterization of a novel semiorganic nonlinear optical l-proline lithium bromide monohydrate single crystal

(2015) S. Sathiskumar et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

An investigation on the key features of a D–π–A type novel chalcone derivative for opto-electronic applications

(2015) Mohd. Shkir et al.   RSC Advances

The density functional study of electronic structure, electronic charge density, linear and nonlinear optical properties of single crystal alpha-LiAlTe2

(2014) A.H. Reshak et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Synthesis, growth, crystal structure, EDX, UV–vis–NIR and DSC studies of l-proline lithium bromide monohydrate—A new semiorganic compound

(2014) Mohd. Shkir et al.   JOURNAL OF CRYSTAL GROWTH

Experimental and theoretical studies on bis(glycine) lithium nitrate (BGLiN): A physico-chemical approach

(2014) Mohd. Shkir et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Molecular structure, Mulliken charge, frontier molecular orbital and first hyperpolarizability analysis on 2-nitroaniline and 4-methoxy-2-nitroaniline using density functional theory

(2014) S. Azhagiri et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Vibrational spectroscopic study, charge transfer interaction and nonlinear optical properties of l-asparaginium picrate: A density functional theoretical approach

(2014) Nabil Elleuch et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Molecular structure, vibrational spectra, NBO, UV and first order hyperpolarizability, analysis of 4-Chloro-dl-phenylalanine by density functional theory

(2014) K. Govindarasu et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis, structural, spectral (FTIR, FT-Raman, UV, NMR), NBO and first order hyperpolarizability analysis of N-phenylbenzenesulfonamide by density functional theory

(2014) K. Govindarasu et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

On the ground and excited state of glycine–glutaric acid: A new organic material

(2014) Mohd. Shkir et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Vibrational spectral studies and non-linear optical properties of l-leucine l-leucinium picrate: A Density Functional Theory approach

(2013) Sameh Guidara et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4′-Nitrobiphenyl by density functional theory

(2013) K. Govindarasu et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Experimental and theoretical studies of 2,5-dichloroanilinium picrate

(2013) N. Sudharsana et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Physico chemical properties of l-asparagine l-tartaric acid single crystals: A new nonlinear optical material

(2013) Mohd Shkir et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Quantum chemical design of nonlinear optical materials by sp2-hybridized carbon nanomaterials: issues and opportunities

(2013) Shabbir Muhammad et al.   Journal of Materials Chemistry C

Synthesis, growth and characterization of L-proline dimercuricchloride single crystals for frequency conversion applications

(2012) D. Kalaiselvi et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Unidirectional growth, improved structural perfection and physical properties of a semi-organic nonlinear optical dichlorobis(L-proline)zinc(II) single crystal

(2012) Urit Charoen-In et al.   JOURNAL OF CRYSTAL GROWTH

Synthesis, structure and characterization of novel metal–organic single crystal: Dibromobis(l-proline)zinc(II)

(2012) G. Venkatesan et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular structure, heteronuclear resonance assisted hydrogen bond analysis, chemical reactivity and first hyperpolarizability of a novel ethyl-4-{[(2,4-dinitrophenyl)-hydrazono]-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate: A combined DFT and AIM approach

(2012) R.N. Singh et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene

(2011) V. Udayakumar et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

FT-IR, FT-Raman, UV spectra and DFT calculations on monomeric and dimeric structure of 2-amino-5-bromobenzoic acid

(2011) Mehmet Karabacak et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Unidirectional growth of l-proline cadmium chloride monohydrate single crystal and its characterization for structural, vibrational, LDT, optical and dielectric properties

(2010) Mohd. Shakir et al.   MATERIALS CHEMISTRY AND PHYSICS

Synthesis, Crystal Growth and Characterization ofl-Proline Lithium Chloride Monohydrate: A New Semiorganic Nonlinear Optical Material

(2009) T. Uma Devi et al.   CRYSTAL GROWTH & DESIGN

Crystal structure, crystal growth and characterization of novel organic NLO material: 2,4,4′-Trimethoxybenzophenone

(2009) G. Anandha Babu et al.   MATERIALS CHEMISTRY AND PHYSICS

Synthesis, crystal growth and characterization of novel semiorganic nonlinear optical crystal: Dichlorobis(l-proline)zinc(II)

(2008) G. Anandha Babu et al.   MATERIALS CHEMISTRY AND PHYSICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Linear and nonlinear second-order polarizabilities of hemispherical and sector-shaped metal nanoparticles

(2008) J. Jayabalan et al.   PHYSICAL REVIEW B

Efficient π electrons delocalization in prospective push–pull non-linear optical chromophore 4-[N,N-dimethylamino]-4′-nitro stilbene (DANS): A vibrational spectroscopic study

(2007) T. Vijayakumar et al.   CHEMICAL PHYSICS

Growth and characterization of l-prolinium picrate single crystal: A promising NLO crystal

(2007) T. Uma Devi et al.   JOURNAL OF CRYSTAL GROWTH