Results 81 to 90 of about 5,066,237 (304)
The Electron Localization Function in Excited States: The Case of the Ultra-Fast Proton Transfer of the Salicylidene Methylamine [PDF]
, 2019 The physical characterization of the chemical bond in the ground state has been a central theme to theoretical chemistry. Among many techniques, quantum chemical topology (QCT) has emerged as a robust technique to understand the features of the chemical ...
Patricio, Fuentealba +4 more
core +1 more source
Molecular Oncology, EarlyView.Drug resistance limits treatment success in a subset of lung cancers driven by ROS1 gene alterations. Using patient‐derived cells and computer simulations, we studied three key mutations and how they affect five targeted drugs. The mutations reduced drug effectiveness in different ways by altering protein structure and behavior.
Farhan Ul Haq +8 more
wiley +1 more source
Microscopic Parameters in the Excited State of Toluene and Some of Its Haloderavatives [PDF]
Journal of Sciences, Islamic Republic of Iran, 2010 The Ultraviolet-visible (UV) spectra of toluene, ortho-bromo and para-bromo toluene in different solvents have been studied. The electric dipole moments and polarizabilities in the molecular excited electronic states were determined.
A.M.O. Abdul Raheem
doaj
Results in Physics, 2020 Electromagnetic form factors of the nucleon are studied within the framework of the Perturbative Chiral Quark Model (PCQM). In a previous analysis of the nucleon electromagnetic form factors, the quark propagator used in the calculation was truncated to ...
J. Jarassriwilai +2 more
doaj +1 more source
AIP Advances, 2022 The effects of the excited states on electron kinetics as well as plasma power absorption and dissipation are numerically studied in radio frequency low-pressure inductively coupled Ar plasmas.
Wei Yang, Fei Gao, You-Nian Wang
doaj +1 more source
Magnetic Susceptibility and Aromaticity in the Excited States of Phenanthrene [PDF]
, 2009 A numerical method for obtaining the change in energy due to a magnetic field of given strength is applied to calculations of π-electronic delocalization susceptibilities of the low-lying excited states of phenanthrene.
Kataoka, Masahiro +2 more
core
Fromage: A Library for the Study of Molecular Crystal Excited States at the Aggregate Scale [PDF]
, 2019 The study of photoexcitations in molecular aggregates faces the twofold problem of the increased computational cost associated with excited states and the complexity of the interactions among the constituent monomers. A mechanistic investigation of these
Warda, Rahim +4 more
core +1 more source
Molecular Oncology, EarlyView.In head and neck squamous cell carcinoma (HNSCC) p53 and p63 exert opposite roles on the transcription regulation of the lncRNA NEAT1. Under basal conditions, p53 levels are low and p63 represses NEAT1 expression. Upon genotoxic stress, p53 is rapidly induced, displacing p63 from the NEAT1 promoter leading to NEAT1 transcriptional activation and ...
Sara De Domenico +5 more
wiley +1 more source
Physics Letters B, 2001 AbstractThe 11B(7Li,7Be)11Be reaction at 57 MeV incident energy was studied at forward angles in order to explore the 11Be excitation energy spectrum. The 11Be ground state and the states at E∗=0.32,1.77,2.67,3.41,3.89,3.96,6.05 MeV excitation energies were populated. The state at 6.05 MeV (FWHM 320±40 keV) has not been previously observed.
Cappuzzello, F. +14 more
openaire +5 more sources
Magnetic Susceptibility and Aromaticity in the Excited States of Pyrene [PDF]
, 2010 A numerical methods for obtaining the change in energy due to a magnetic field of given strength is applied to calculations of π-electronic delocalization susceptibilities of the low-lying excited states of pyrene.It is found that the delocalization ...
Kataoka, Masahiro +2 more
core