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ArticleSolvent Effect on the Excited Charge Transfer State of Naphthylamine Sulfonate Derivatives: Steady State and Time resolved studies
ArticleDFT, Electronic absorption spectra and Non-linear optical properties of some 4H-benzo[h]chromene Derivatives. Solvent effect and TD-DFT Approach
ArticleDFT, Electronic absorption spectra and Non-linear optical properties of some 4H-benzo[h]chromene Derivatives. Solvent effect and TD-DFT Approach
ArticleTheoretical Study for Isomerization of Some 2´-Hydroxychalcone Derivative by Using DFT Calculation
ArticleTheoretical Study for Isomerization of Some 2´-Hydroxychalcone Derivative by Using DFT Calculation
ArticleA fluorescent molecule based on 1,8- naphthalic anhydride: synthesis, spectral properties, and studying the conductance in solution
ArticleA fluorescent molecule based on 1,8- naphthalic anhydride: synthesis, spectral properties, and studying the conductance in solution
ArticleMedium Induced Color Switching of a Spiropyran Photochromic Dye: Experimental Studies and Quantum Chemical Calculations
ArticleMedium Induced Color Switching of a Spiropyran Photochromic Dye: Experimental Studies and Quantum Chemical Calculations
ArticleSynthesis, Electronic Structure, NLO Analysis and Antitumor Activity of Some Novel Quinolinones Derivatives: DFT Approach
ArticleSynthesis, Electronic Structure, NLO Analysis and Antitumor Activity of Some Novel Quinolinones Derivatives: DFT Approach
ArticleSpectroscopic and computational investigation of a novel charge transfer complex via hydrogen bonding between β-cyclodextrin with DDQ and TCNE: NBO, AIM, NLO and DFT analysis
ArticleSpectroscopic and computational investigation of a novel charge transfer complex via hydrogen bonding between β-cyclodextrin with DDQ and TCNE: NBO, AIM, NLO and DFT analysis
ArticleElectronic Structure, Global Reactivity Descriptors and Nonlinear Optical Properties of Some Novel pyrazolyl quinolinone Derivatives. DFT approach
ArticleElectronic Structure, Global Reactivity Descriptors and Nonlinear Optical Properties of Some Novel pyrazolyl quinolinone Derivatives. DFT approach
ArticleEffecting the Donor Moieties on the Efficiency of D–π–A System Candidate for Optoelectronic Applications: A DFT Study
ArticleEffecting the Donor Moieties on the Efficiency of D–π–A System Candidate for Optoelectronic Applications: A DFT Study