On the Temperature Indices of Molecular Structures of Some Networks by Akbar Jahanbani, Rana Khoeilar, Murat Cancan

“…Theoretical and statistical study of drug-like compounds improves the drug design and finding work-flow by rationalizing lead detection, instant decision, and mechanism of action comprehension. Using molecular structure characterization and edge segmentation technique, we computed the general temperature topological indices for OTIS networks.…”
Get full text

Spectroscopic investigation of the ultrasound impacts on the molecular structures of blood proteins by Aysh Y. Madkhli, Waad A. Al-Otaibi, Sahar M. AlMotwaa, Amal Mohsen Alghamdi, Norah T.S. Albogamy, Manal A. Babaker, Eida M. Alshammari, Mohammed J. Al Nahari, Abdu Saeed

Subjects: Get full text

Computational Nanochemistry Study of the Molecular Structure and Properties of Chlorophyll a by Mónica Alvarado-González, Norma Flores-Holguín, Daniel Glossman-Mitnik

“…The M06 family of density functionals has been assessed for the calculation of the molecular structure and properties of the chlorophyll a molecule. …”
Get full text

Retracted: Computing the Energy and Estrada Index of Different Molecular Structures by Journal of Chemistry

Get full text

A computational approach for prediction of viscosity of chemical compounds based on molecular structures by Sneha Das, Ram Kishore Roy, Tulshi Bezboruah

“…The research paper explores the feasibility of predicting the viscosity of a diverse chemical compound by using molecular structures at 25 °C through supervised machine learning methods. …”
Get full text

Use of high-resolution NMR spectra transformed by paramagnetic complexes for studying molecular structure by Vladimir K. Voronov

Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells by Jesus Baldenebro-Lopez, Norma Flores-Holguin, Jose Castorena-Gonzalez, Jorge Almaral-Sanchez, Daniel Glossman-Mitnik

“…This level of calculation was used to find the optimized molecular structure, the absorption spectra, the molecular orbitals energies, and the chemical reactivity parameters that arise from conceptual DFT. …”
Get full text

Molecular Structure and Electronic Properties of Porphyrin-Thiophene-Perylene Using Quantum Chemical Calculation by Tatiya Chokbunpiam, Patchanita Thamyongkit, Oraphan Saengsawang, Supot Hannongbua

Get full text

Numerical and Scientific Investigation of Some Molecular Structures Based on the Criterion of Super Classical Average Assignments by A. Rajesh Kannan, Nazek Alessa, K. Loganathan, Balachandra Pattanaik

Get full text

Effect of High Pressure on the Molecular Structure and π-Electrons Delocalization of Canthaxanthin as Revealed by Raman Spectra by Shun-li Ou-Yang, Nan-nan Wu, Yan-jie Tian

“…The effect of high pressure on the molecular structure and π-electron delocalization of canthaxanthin was studied by in situ resonance Raman spectroscopy. …”
Get full text

Molecular Structure, Membrane Interactions, and Toxicity of the Islet Amyloid Polypeptide in Type 2 Diabetes Mellitus by Lucie Caillon, Anais R. F. Hoffmann, Alexandra Botz, Lucie Khemtemourian

Get full text

Impact of molecular structure and plasticization of PVC membranes in the response of solid-state ion-selective electrodes by Coral Salvo-Comino, Luis E. Alonso-Pastor, Clara Pérez-González, Stefano Pettinelli, Karina C. Núñez Carrero, Miguel Ángel Rodríguez-Pérez, María Luz Rodríguez-Méndez

Get full text

Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networks by Mo Yang, Dezhi Zhou

Get full text

Molecular structures and adsorption of dyes on bismuth oxychloride surfaces using density functional theory and Monte Carlo dynamic simulation by Tadesse Lemma Wakjira, Abebe Belay Gemta, Kumneger Tadele, Gashaw Beyene Kassahun, Umer sherefedin, T. Gurumurthi, Tesfaye Feyisa

Subjects: Get full text

Cdk6’s functions are critically regulated by its unique C-terminus by Alessia Schirripa, Helge Schöppe, Sofie Nebenfuehr, Markus Zojer, Thorsten Klampfl, Valentina Kugler, Belinda S. Maw, Huriye Ceylan, Iris Z. Uras, Lisa Scheiblecker, Elisabeth Gamper, Ulrich Stelzl, Eduard Stefan, Teresa Kaserer, Veronika Sexl, Karoline Kollmann

Subjects: Get full text

SARS-CoV-2: Molecular Structure, Pathogenesis, Potential Therapeutic Targets, and Immune Response of the Infected Subject by R. Wumba, M. Mandina, Y. Nlandu, J. R. Makulo, A. Tshimpi, P. Mbala, A. Mbangama, P. Kabututu, J. M. Kayembe

Get full text

Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl) acetamido)copper(II) Complex by Hakan Arslan, Ulrich Flörke, Demet Sezgin Mansuroglu

“…The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. …”
Get full text

Synthesis, Spectroscopic, Molecular Structure, and Antibacterial Studies of Dibutyltin(IV) Schiff Base Complexes Derived from Phenylalanine, Isoleucine, and Glycine by Har Lal Singh, Jangbhadur Singh

Get full text

The effect of molecular structure of chlorin photosensitizers on photo-bleaching of 1,3-diphenylisobenzofuran—the possible evidence of iodine reactive species formation by Kustov, Andrey, Morshnev, Philipp, Kukushkina, Natal’ya, Krestyaninov, Mikhail, Smirnova, Nataliya, Berezin, Dmitry, Kokurina, Galina, Belykh, Dmitry

Get full text

Effect of Molecular Structure on the B3LYP-Computed HOMO–LUMO Gap: A Structure −Property Relationship Using Atomic Signatures by Ahmed Mohamed, Donald P. Visco, Karl Breimaier, David M. Bastidas

Get full text