Results 181 to 190 of about 17,639 (221)
Structural insights and ADMET analysis of CAFI: hydrogen bonding, molecular docking, and drug-likeness in renal function enhancers. [PDF]
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A Computation Effective Range-Based 3D Mapping Aided GNSS with NLOS Correction Method
Journal of Navigation, 2020Global navigation satellite system (GNSS) positioning in dense urban areas remains a challenge due to the signal reflection by buildings, namely multipath and non-line-of-sight (NLOS) reception. These effects degrade the performance of low-cost GNSS receivers such as in those smartphones.
Hoi-Fung Ng, Guohao Zhang, Li-Ta Hsu
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Optics & Laser Technology, 2021
Abstract In the field of nonlinear optics, the organic materials have new corners compared to inorganic materials. Aniline as well as tartrate possesses high nonlinear optical behaviour especially for second harmonic generation. Single crystals of Anilinium-L-Tartrate (ALT) salt is grown from solution growth technique.
N. Sudha +3 more
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Abstract In the field of nonlinear optics, the organic materials have new corners compared to inorganic materials. Aniline as well as tartrate possesses high nonlinear optical behaviour especially for second harmonic generation. Single crystals of Anilinium-L-Tartrate (ALT) salt is grown from solution growth technique.
N. Sudha +3 more
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Implementation of NLO QCD corrections into the framework of computer system SANC
Physics of Particles and Nuclei Letters, 2007The QCD sector of the system SANC is presented. The QCD theoretical predictions for several processes of high-energy interactions of fundamental particles at the one-loop precision level for up to some 3- and 4-particle processes are implemented. ·¥¤¸E ¢²¥´μ ¸μ¸EμO´¨¥ S•„-¸¥±Eμ· ¢ ¸¨¸E¥³¥ SANC.
A. Andonov +5 more
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Australian Journal of Chemistry, 2015
In this study, density functional theory and time-dependent density functional theory are used to determine how the size of p-conjugated system influences the absorption spectra and non-linear optical (NLO) properties of dyes. Double and triple bonds, as well the benzene rings, are used in conjugated systems.
Muhammad Ramzan Saeed Ashraf Janjua +8 more
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In this study, density functional theory and time-dependent density functional theory are used to determine how the size of p-conjugated system influences the absorption spectra and non-linear optical (NLO) properties of dyes. Double and triple bonds, as well the benzene rings, are used in conjugated systems.
Muhammad Ramzan Saeed Ashraf Janjua +8 more
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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
The molecular vibrations of o-chlorobenzohydrazide (OCBH) have been investigated in polycrystalline sample, at room temperature, by recording Fourier transform infrared (FT-IR) and FT-Raman spectroscopies. The complete vibrational assignment and analysis of the fundamental modes was carried out using the experimental data and quantum chemical studies ...
E, Gobinath, R John, Xavier
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The molecular vibrations of o-chlorobenzohydrazide (OCBH) have been investigated in polycrystalline sample, at room temperature, by recording Fourier transform infrared (FT-IR) and FT-Raman spectroscopies. The complete vibrational assignment and analysis of the fundamental modes was carried out using the experimental data and quantum chemical studies ...
E, Gobinath, R John, Xavier
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Automation of NLO Computations
2016In this chapter, we present a brief introduction to the MadGraph5_aMC@NLO [1] framework, which is the first public code to perform NLO level computation and match to parton shower automatically. For the users who are interested in the details, we suggest them to read our recent publication Ref. [1].
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Journal of Theoretical and Computational Chemistry, 2020
We have explored detailed linear and nonlinear optical properties of push-pull systems bearing thienothiophene and dithienothiophene spacers. By using density functional theory (DFT), frequency-dependent strategies were applied to examine the polarizability ([Formula: see text] and hyperpolarizability ([Formula: see text] and [Formula: see text].
Sagar B. Yadav, Nagaiyan Sekar
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We have explored detailed linear and nonlinear optical properties of push-pull systems bearing thienothiophene and dithienothiophene spacers. By using density functional theory (DFT), frequency-dependent strategies were applied to examine the polarizability ([Formula: see text] and hyperpolarizability ([Formula: see text] and [Formula: see text].
Sagar B. Yadav, Nagaiyan Sekar
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NLO Computations and Automation Philosophy
2016In this chapter, we will give a brief introduction to the relevant background of the second part. It consists of three aspects. After we present some general remarks in Sect. 7.1, we will introduce the basic concepts of NLO computations, including IR and ultraviolet (UV) divergences cancellations. Finally, we will emphasize the automation philosophy.
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Pramana, 2017
In the present work, we have reported a theoretical study on molecular structure and vibrational spectra of organic nonlinear optical 2-aminopyridinium p-toluenesulphonate (APPTS). The molecular geometry, electrostatic potential surface and vibrational wave numbers with Raman intensities and infrared absorption intensities in the ground state have been
Mahesh Pal Singh Yadav, Anuj kumar
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In the present work, we have reported a theoretical study on molecular structure and vibrational spectra of organic nonlinear optical 2-aminopyridinium p-toluenesulphonate (APPTS). The molecular geometry, electrostatic potential surface and vibrational wave numbers with Raman intensities and infrared absorption intensities in the ground state have been
Mahesh Pal Singh Yadav, Anuj kumar
openaire +1 more source