130 related articles for article (PubMed ID: 30145495)
1. Growth, Hirshfeld surfaces, spectral, quantum chemical calculations, photoconductivity and chemical etching analyses of nonlinear optical p-toluidine p-toluenesulfonate single crystal.
Chinnasami S; Manikandan M; Chandran S; Paulraj R; Ramasamy P
Spectrochim Acta A Mol Biomol Spectrosc; 2019 Jan; 206():340-349. PubMed ID: 30145495
[TBL] [Abstract][Full Text] [Related]
2. Optical, vibrational, NBO, first-order molecular hyperpolarizability and Hirshfeld surface analysis of a nonlinear optical chalcone.
Aditya Prasad A; Muthu K; Meenatchi V; Rajasekar M; Agilandeshwari R; Meena K; Vijila Manonmoni J; Meenakshisundaram SP
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Apr; 140():311-27. PubMed ID: 25615677
[TBL] [Abstract][Full Text] [Related]
3. Studies on crystal growth, experimental, structural, DFT, optical, thermal and biological studies of 3-hydroxy-4-methoxybenzaldehyde single crystals.
Smitha Rose C; Suthan T; Mary Delphine S; Wise Bell CC; Lekshmi NCJP
Heliyon; 2023 Apr; 9(4):e15219. PubMed ID: 37095901
[TBL] [Abstract][Full Text] [Related]
4. Growth and combined experimental and quantum chemical study of glycyl-L-Valine crystal.
Usha C; Santhakumari R; Joseph L; Sajan D; Meenakshi R; Sinthiya A
Heliyon; 2019 May; 5(5):e01574. PubMed ID: 31080902
[TBL] [Abstract][Full Text] [Related]
5. A detailed exploration of intermolecular interactions in 4-(4-dimethylaminobenzylideneamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide and related Schiff bases: Crystal structure, spectral studies, DFT methods, Pixel energies and Hirshfeld surface analysis.
Gil DM; Salomón FF; Echeverría GA; Piro OE; Pérez H; Altabef AB
Spectrochim Acta A Mol Biomol Spectrosc; 2017 Oct; 185():286-297. PubMed ID: 28595154
[TBL] [Abstract][Full Text] [Related]
6. Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cuminaldehyde derivative hydrazone.
Meenatchi V; ; Meenakshisundaram SP; Cheng L
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2021 Apr; 77(Pt 2):249-259. PubMed ID: 33843733
[TBL] [Abstract][Full Text] [Related]
7. Ligand based pharmacophoric modelling and docking of bioactive pyrazolium 3-nitrophthalate (P3NP) on Bacillus subtilis, Aspergillus fumigatus and Aspergillus niger - Computational and Hirshfeld surface analysis.
Balachandar S; Sethuram M; Muthuraja P; Shanmugavadivu T; Dhandapani M
J Photochem Photobiol B; 2016 Oct; 163():352-65. PubMed ID: 27614246
[TBL] [Abstract][Full Text] [Related]
8. Investigation on the growth aspects and properties of rubidium hydrogen succinate hydrate single crystal for NLO applications.
Kavitha S; Vizhi RE
RSC Adv; 2024 Feb; 14(9):6016-6027. PubMed ID: 38370452
[TBL] [Abstract][Full Text] [Related]
9. Crystal growth, spectral, optical, laser damage, photoconductivity and dielectric properties of semiorganic L-cystine hydrochloride single crystal.
Chandran SK; Paulraj R; Ramasamy P
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Dec; 151():432-7. PubMed ID: 26151431
[TBL] [Abstract][Full Text] [Related]
10. Single crystal XRD, vibrational and quantum chemical calculation of pharmaceutical drug paracetamol: A new synthesis form.
Anitha R; Gunasekaran M; Kumar SS; Athimoolam S; Sridhar B
Spectrochim Acta A Mol Biomol Spectrosc; 2015; 150():488-98. PubMed ID: 26072380
[TBL] [Abstract][Full Text] [Related]
11. Vibrational spectra, optical properties, NBO and HOMO-LUMO analysis of L-Phenylalanine L-Phenylalaninium Perchlorate: DFT calculations.
Elleuch N; Ben Ahmed A; Feki H; Abid Y; Minot C
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():129-38. PubMed ID: 24231749
[TBL] [Abstract][Full Text] [Related]
12. Supramolecular cocrystals of O-H...O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties.
Balakrishnan C; Manonmani M; Rafi Ahamed S; Vinitha G; Meenakshisundaram SP; Sockalingam RM
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2020 Apr; 76(Pt 2):241-251. PubMed ID: 32831226
[TBL] [Abstract][Full Text] [Related]
13. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, (13)C, (1)H) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-acetoxybenzoic acid by density functional methods.
Bhavani K; Renuga S; Muthu S; Sankara Narayanan K
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt C():1260-8. PubMed ID: 25456668
[TBL] [Abstract][Full Text] [Related]
14. Molecular structure, vibrational spectra, first order hyper polarizability, NBO and HOMO-LUMO analysis of 2-amino-5-bromo-benzoic acid methyl ester.
Balamurugan N; Charanya C; SampathKrishnan S; Muthu S
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():1374-86. PubMed ID: 25306133
[TBL] [Abstract][Full Text] [Related]
15. Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-ones.
Tojiboev AG; Elmuradov BZ; Mouhib H; Turgunov KK; Abdurazakov AS; Makhmadiyarova CE; Tashkhodjaev B; Mirzaev SZ
Acta Crystallogr B Struct Sci Cryst Eng Mater; 2021 Jun; 77(Pt 3):416-426. PubMed ID: 34096524
[TBL] [Abstract][Full Text] [Related]
16. Quantum mechanical, spectroscopic and docking studies of 2-Amino-3-bromo-5-nitropyridine by Density Functional Method.
Abraham CS; Prasana JC; Muthu S
Spectrochim Acta A Mol Biomol Spectrosc; 2017 Jun; 181():153-163. PubMed ID: 28359904
[TBL] [Abstract][Full Text] [Related]
17. Synthesis, growth, structural, spectral, thermal, chemical etching, linear and nonlinear optical and mechanical studies of an organic single crystal 4-chloro 4-nitrostilbene (CONS): a potential NLO material.
Dinakaran PM; Kalainathan S
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jul; 111():123-30. PubMed ID: 23624038
[TBL] [Abstract][Full Text] [Related]
18. Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks and computational studies of Schiff base derivative.
Chandini KM; Nagesh Khadri MJ; Amoghavarsha N; Sridhar MA; Khanum SA
Heliyon; 2022 Aug; 8(8):e10047. PubMed ID: 36061005
[TBL] [Abstract][Full Text] [Related]
19. Synthesis, Covalency Sequence, and Crystal Features of Pentagonal Uranyl Acylpyrazolone Complexes along with DFT Calculation and Hirshfeld Analysis.
Travadi M; Jadeja RN; Butcher RJ
ACS Omega; 2022 Sep; 7(38):34359-34369. PubMed ID: 36188308
[TBL] [Abstract][Full Text] [Related]
20. NBO, NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of 4-Chloro-3,5-Xylenol: a combined experimental and theoretical study.
Arivazhagan M; Gayathri R
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec; 116():170-82. PubMed ID: 23933555
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
