Results 221 to 230 of about 17,630 (246)

Structural insights and ADMET analysis of CAFI: hydrogen bonding, molecular docking, and drug-likeness in renal function enhancers. [PDF]

BMC Chem
Divya P, Reeda VSJ, Rajkumar P, Ranchani AAJ, Shahidha R, Shahid M, Siddiqui N, Javed S.   +7 more
europepmc   +1 more source

Theoretical Insights into the Structural and Optical Properties of D-π-A-based Cyanostilbene Systems of α and β Variants. [PDF]

ACS Omega
Femina C, Sajith PK, Remya K, Thomas R, Solomon RV.   +4 more
europepmc   +1 more source

Synthesis, Characterizations, Hirshfeld Surface Analysis, DFT, and NLO Study of a Schiff Base Derived from Trifluoromethyl Amine. [PDF]

ACS Omega
Tahir MN, Ashfaq M, Munawar KS, Khan AU, Asghar MA, Ahamad T, Ojha SC.   +6 more
europepmc   +1 more source

Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push-pull assembly: a DFT approach. [PDF]

RSC Adv
Khalid M, Murtaza S, Gull K, Abid S, Imran M, Braga AAC.   +5 more
europepmc   +1 more source

HHH whitepaper. [PDF]

Eur Phys J C Part Fields
Abouabid H, Arhrib A, Arnold H, Azevedo D, Brigljevic V, Chen M, Diaz D, Duarte J, du Pree T, El Falaki J, Ferencek D, Ferreira PM, Fuks B, Ganguly S, Karkout O, Kolosova M, Konigsberg J, Landsberg G, Liu B, Moser B, Mühlleitner M, Papaefstathiou A, Pasechnik R, Robens T, Santos R, Sheldon B, Soyez G, Stamenkovic M, Stylianou P, Susa T, Tetlalmatzi-Xolocotzi G, Weiglein G, Zanderighi G, Zhang R.   +33 more
europepmc   +1 more source

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A Computation Effective Range-Based 3D Mapping Aided GNSS with NLOS Correction Method

Journal of Navigation, 2020
Global 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
openaire   +2 more sources

A comprehensive experimental and computational study of highly efficient organic NLO crystal: Anilinium -L-Tartrate

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, R. Mathammal, R. Shankar, G. Sharon Benita   +3 more
openaire   +1 more source

Implementation of NLO QCD corrections into the framework of computer system SANC

Physics of Particles and Nuclei Letters, 2007
The 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, A. Arbuzov, S. Bondarenko, P. Christova, V. Kolesnikov, R. Sadykov   +5 more
openaire   +1 more source

First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds

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, Zain Hassan Yamani, Saba Jamil, Asif Mahmood, Imran Ahmad, Muhammad Haroon, Mudassir Hussain Tahir, Zhihua Yang, Shilie Pan   +8 more
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Quantum chemical computations, vibrational spectroscopic studies, NLO and NBO/NLMO analysis of o-chlorobenzohydrazide

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
openaire   +2 more sources