Results 21 to 30 of about 290,242 (293)

On the spectrum, energy and Laplacian energy of graphs with self-loops

Heliyon, 2023
The total energy of a conjugated molecule's π-electrons is a quantum-theoretical feature that has been known since the 1930s. It is determined using the Huckel tight-binding molecular orbital (HMO) method.
Ugasini Preetha P, M. Suresh, Ebenezer Bonyah   +2 more
doaj   +1 more source

QED Corrections to Neutrino Electron Scattering [PDF]

, 2000
We evaluate the O(alpha) QED corrections to the recoil electron energy spectrum in the process nu_l + e --> nu_l + e (+gamma), where (+gamma) indicates the possible emission of a photon and l=e, mu or tau.
A. Ferroglia, A. Piepke, A. Sirlin, A. Sirlin, D. Y. Bardin, D. Y. Bardin, D. Y. Bardin, E. D. Zhizhin, E. D. Zhizhin, G. P. Lepage, G. Ranucci, G. ’t Hooft, J. Bernabeu, J. Bernabeu, J. N. Bahcall, J. N. Bahcall, K. Aoki, K. Aoki, M. Green, M. Green, M. Passera, M. Ram, P. Salomonson, R. E. Behrends, R. Mertig, S. Sarantakos, T. D. Lee, T. D. Lee, T. Kinoshita, T. Kinoshita, W. J. Marciano, Y. Fukuda, Y. Fukuda, Y. Fukuda, Y. Suzuki,, Z. Hioki   +35 more
core   +4 more sources

Electron Energy Studying of Molecular Structures via Forgotten Topological Index Computation

Journal of Chemistry, 2016
It is found from the earlier studies that the structure-dependency of total π-electron energy Eπ heavily relies on the sum of squares of the vertex degrees of the molecular graph. Hence, it provides a measure of the branching of the carbon-atom skeleton.
Wei Gao, Weifan Wang, Muhammad Kamran Jamil, Mohammad Reza Farahani   +3 more
doaj   +1 more source

Comparing energy and Randic energy

Macedonian Journal of Chemistry and Chemical Engineering, 2013
The recently conceived Randić energy (RE) is examined, and its relation to the (earlier much studied) total π-electron energy (E) is investigated. Within classes of molecular graphs, there exists a relatively good (increasing) linear correlation between ...
Boris Furtula, Ivan Gutman
doaj   +1 more source

Momentum-resolved charge excitations in high-Tc cuprates studied by resonant inelastic x-ray scattering [PDF]

, 2007
We report a Cu K-edge resonant inelastic x-ray scattering (RIXS) study of high-Tc cuprates. Momentum-resolved charge excitations in the CuO2 plane are examined from parent Mott insulators to carrier-doped superconductors.
Collart, Damascelli, H. Kawashima, Hasan, Heald, Idé, Idé, Inami, Ishii, Ishii, Ishii, Ishii, Ishii, J. Akimitsu, J. Mizuki, K. Ishii, K. Kuzushita, K. Ohwada, K. Tsutsui, K. Yamada, Kim, Kim, Kosugi, Kuroiwa, Lu, Lu, M. Hoesch, M. Tsubota, Markiewicz, Pavarini, S. Maekawa, S. Tajima, T. Inami, T. Masui, T. Tohyama, Tohyama, Tohyama, Tokura, Tolentino, Tranquada, Tsutsui, Tsutsui, Y. Endoh, Y. Murakami, Zaanen, Zhang   +45 more
core   +1 more source

Upper Bound for Total π-Electron Energy of Benzenoid Hydrocarbons

, 1985
A novel upper bound for the π-electron energy (Eπ) is described. The formula, valid for benzenoid hydrocarbons yields values closer to the true Eπ than the McClelland's or even Gutman's estimates.
J. Cioslowski
semanticscholar   +1 more source

On bounds for topological descriptors of φ-sum graphs

Journal of Taibah University for Science, 2020
The properties of chemical compounds are very important for the studies of the non-isomorphism phenomenon's related to the molecular graphs. Topological indices (TIs) are one of the mathematical tools which are used to study these properties.
Yu-Ming Chu, Saira Javed, Muhammad Javaid, Muhammad Kamran Siddiqui   +3 more
doaj   +1 more source

Computing Connection-Based Topological Indices of Sudoku Graphs

Journal of Mathematics, 2022
A topological index (TI) is a function that associates a numeric number to the under-study molecular graph. The first TI based on distance was presented by Wiener to find the boiling point of paraffins.
Muhammad Basit Ali, Ebenezer Bonyah, Muhammad Javaid   +2 more
doaj   +1 more source

Total π Electron Energy of Linear Acenes Nanostructure

International Letters of Chemistry, Physics and Astronomy, 2016
Moletronics is a branch of nanoelectronic that considers the use of small groups of molecules in nanoscale. A family of organic molecules that has been highly regarded in Moletronics and nanoscale are Acenes with the chemical formula C4n+2 H2n+4.
A. Khakpoor
semanticscholar   +1 more source

Computational investigation of solvent interaction (TD-DFT, MEP, HOMO-LUMO), wavefunction studies and molecular docking studies of 3-(1-(3-(5-((1-methylpiperidin-4-yl)methoxy)pyrimidin-2-yl)benzyl)-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile

Chemical Physics Impact, 2023
Initially, we have done the conformational analysis, total of 564 confirmations were available, we noted highest energy value is 56.499 and the ring energy is 67.982.
S. Kanchana, T. Kaviya, P. Rajkumar, M.Dhinesh Kumar, N. Elangovan, S. Sowrirajan   +5 more
doaj   +1 more source