Search Results - "Osório, Francisco A. P"

Theoretical investigation on the linear and nonlinear optical properties of DAPSH crystal by Valverde, Clodoaldo, Medeiros, Renato, Franco, Leandro R., Osório, Francisco A. P., Castro, Marcos A., Fonseca, Tertius L.

“…The linear polarizability, first and second hyperpolarizabilities of the asymmetric unit of DAPSH crystal are studied and compared with available experimental…”
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Exploring the nonlinear optical properties of hypoxanthinium salts: a structural and computational analysis by Athmani, Hamza, Direm, Amani, Osório, Francisco A. P., Valverde, Clodoaldo

“…Context In this study, we detail the synthesis and crystallographic characterization of an unprecedented structure, specifically hypoxanthinium chloride…”
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Study of Nonlinear Optical Properties of a Self-Healing Organic Crystal by Valverde, Clodoaldo, Osório, Francisco A. P.

“…Recently a noncentrosymmetric single crystal of a dibenzoate derivative, namely, dimethyl-4,4′-(methylenebis­(azanediyl))­dibenzoate, with second harmonic…”
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Chalcone as Potential Nonlinear Optical Material: A Combined Theoretical, Structural, and Spectroscopic Study by Custodio, Jean M. F, D’Oliveira, Giulio D. C, Gotardo, Fernando, Cocca, Leandro H. Z, De Boni, Leonardo, Perez, Caridad N, Maia, Lauro J. Q, Valverde, Clodoaldo, Osório, Francisco A. P, Napolitano, Hamilton B

“…In this work, we propose the synthesis of a novel bromine chalcone (E)-3-(2-bromophenyl)-1-(2-((phenylsulfonyl)­amine))­phenyl)­prop-2-en-1-one (BRC) that has…”
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A Comprehensive Topological Analysis on a New Bromine-Chalcone with Potential Nonlinear Optical Properties by de Paula, Renata Layse G, Duarte, Vitor S, Fernandes, Fernanda S, Vaz, Wesley F, Ribeiro, Italo N, Osório, Francisco A. P, Valverde, Clodoaldo, Oliveira, Guilherme R, Napolitano, Hamilton B

“…The application of organic crystals on nonlinear optical (NLO) materials has been increasing in recent years, and compounds like chalcones are interesting due…”
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Third-Order Nonlinear Optical Properties of a Carboxylic Acid Derivative by Valverde, Clodoaldo, Castro, Alves de Lima E Sizelizio, Vaz, Rodrigues Gabriela, Ferreira, Luiz de Almeida Jorge, Baseia, Basílio, Osório, A P Francisco

“…We report a study of the structural and electrical properties of a carboxylic acid derivative (CAD) with structural formula C5H8O2 ((E)-pent-2-enoic acid)…”
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Multifaceted Study of a Y‑Shaped Pyrimidine Compound: Assessing Structural Properties, Docking Interactions, and Third-Order Nonlinear Optics by Potla, Krishna Murthy, Nuthalapati, Poojith, Sasi Mohan, Jahnavi Thokala, Osório, Francisco A. P., Valverde, Clodoaldo, Vankayalapati, Suneetha, Adimule, Suchetan Parameshwar, Armaković, Sanja J., Armaković, Stevan, Mary, Y. Sheena

“…In this study, we report the synthesis of a new compound, N4,N4-dimethyl-2-(methylsulfanyl)-N6-(4-phenoxyphenyl)­pyrimidine-4,6-diamine (DMS), and its…”
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Prediction of the Linear and Nonlinear Optical Properties of a Schiff Base Derivatives via DFT by Baseia, Basílio, Soares, João Victor B., Ribeiro, Ítalo Nuta, Valverde, Clodoaldo, Osório, Francisco A. P.

“…In this work, the density functional theory (DFT) calculation combined with a polarizable continuum model (PCM) was used to study the solvent media effects on…”
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A first principles study of nonlinear optical properties of a quinoline derivative by Medeiros, Renato, Valverde, Clodoaldo, Faizi, Md. Serajul Haque, Jamal, Asif, Osório, Francisco A. P.

“…A quinoline derivative, 4‐(quinolin‐2‐ylmethylene)aminophenol was synthesized and structurally characterized by single crystal X‐ray diffraction. The crystal…”
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Remarkable Nonlinear Properties of a Novel Quinolidone Derivative: Joint Synthesis and Molecular Modeling by Valverde, Clodoaldo, Vinhal, Rafael S, Naves, Luiz F N, Custódio, Jean M F, Baseia, Basílio, de Oliveira, Heibbe Cristhian B, Perez, Caridad N, Napolitano, Hamilton B, Osório, Francisco A P

“…A novel 4(1H) quinolinone derivative (QBCP) was synthesized and characterized with single crystal X-ray diffraction. Hirshfeld surfaces (HS) analyses were…”
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Hyperpolarizability studies and Hirshfeld surface analysis of two heterocyclic chalcones by Valverde, Clodoaldo, Castro, Adailton N., Rodrigues, Rosemberg F. N., Ternavisk, Ricardo R., Fernandes, Daphne C., dos Santos, Florisberto G., Napolitano, Hamilton B., Osório, Francisco A. P., Baseia, Basílio

“…In this work, the nonlinear optical (NLO) properties of two heterocyclic chalcones, (E)-1-(5-chlorothiophen-2-yl)-3-(thiophen-2yl)-2-propen-1-one (CLTT) and…”
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Investigating Solvent-Induced Changes in Structure and Nonlinear Optical Behavior of Thiazine Derivatives by Valverde, Clodoaldo, da Silva, André, Potla, Krishna, de Oliveira, Heibbe, Osório, Francisco, Baseia, Basílio

“…In this study, we examine the effects of solvent media on the structural and optical behaviors of two isomers of thiazine derivatives:…”
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Understanding Nonlinear Optical Phenomena in N‑Pyrimidinyl Stilbazolium Crystals via a Self-Consistent Electrostatic Embedding – DFT Approach by Medeiros, Renato, Franco, Leandro R., Osório, Francisco A.P., Valverde, Clodoaldo, Castro, Marcos A., Fonseca, Tertius L.

“…Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) have been used to investigate the nonlinear optical (NLO) properties of…”
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Effects of Changing Substituents on the Non-Linear Optical Properties of Two Coumarin Derivatives by Baseia, Basílio, Osório, Francisco, Lima, Larissa, Valverde, Clodoaldo

“…In this article, we study the electric properties of two coumarin derivatives whose difference stems from the change of substituents at 3-position of the…”
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Chalcone as Potential Nonlinear Optical Material: A Combined Theoretical, Structural and Spectroscopic Study by Custodio, Jean M F, D'Oliveira, Giulio D C, Gotardo, Fernando, Cocca, Leandro H Z, De Boni, Leonardo, Noda Perez, Caridad, Maia, Lauro June Queiroz, Valverde, Clodoaldo, Osorio, Francisco A P, Napolitano, Hamilton B

“…In this work, we propose the synthesis of a novel bromine chalcone (E)-3-(2-bromophenyl)-1-(2phenylsulfonylamine)-phenyl)prop-2-en-1-one (BRC) that has been…”
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A comparative study of structural and spectroscopic properties of three structurally similar mechanically bending organic single crystals – 2-Amino-3-nitro-5-halo (halo = Cl, Br, or I) pyridine by Murthy Potla, Krishna, Parameshwar Adimule, Suchetan, Poojith, Nuthalapati, Osório, Francisco A.P., Valverde, Clodoaldo, Sheena Mary, Y., Vankayalapati, Suneetha

“…Single crystals of monoaromatic substances possessing mechanical softness have drawn great attention from scientific community, but they are hard to find…”
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Theoretical study of solvent effects on the hyperpolarizabilities of two chalcone derivatives by Valverde, Clodoaldo, Batista Soares, João Victor, Duarte da Silva, André, Vieira da Luz, Bruno, Almeida dos Santos, Daniel Junior, Barbosa Carvalho, Elisa Guimarães, Monteiro Oliveira, Yara Cecilia, Barbosa Napolitano, Hamilton, Baseia, Basílio, Pinto Osório, Francisco Aparecido

“…The use of organic as nonlinear optical materials has been intensively explored in the recent years due to the ease of manipulation of the molecular structure…”
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DFT study of third-order nonlinear susceptibility of a chalcone crystal by Valverde, Clodoaldo, Osório, Francisco A.P., Fonseca, Tertius L., Baseia, Basílio

“…[Display omitted] •In-crystal electric properties of 3MPNP molecules in solid phase are presented.•Environment polarization effect is marked for the second…”
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An analysis of spectroscopic, computational and biological activity studies of L-shaped sulfamoylbenzoic acid derivatives: A third order nonlinear optical material by Potla, Krishna Murthy, Poojith, Nuthalapati, Osório, Francisco A.P., Valverde, Clodoaldo, Chinnam, Sampath, Suchetan, P.A., Vankayalapati, Suneetha

“…The current article focuses mainly on investigation of structural, reactivity, topology studies, and third order nonlinear optical properties of the…”
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Synthesis, crystal structure, spectroscopic and nonlinear optical properties of organic salt: A combined experimental and theoretical study by Faizi, Md. Serajul Haque, Osório, Francisco A.P., Valverde, Clodoaldo

“…The 2-methoxy-pyrido[1,2-a]quinoxalin-11-ylium bromide (2MPQYB) crystal was characterized from single crystal X-ray diffraction (SCXRD) and spectroscopy…”
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