Results 31 to 40 of about 84,873 (261)

Numerical variational solution of hydrogen molecule and ions using one-dimensional hydrogen as basis functions

open access: yesNew Journal of Physics, 2020
The ground state solution of hydrogen molecule and ions are numerically obtained as an application of our scheme to solve many-electron multi-center potential Schrödinger equation by using one-dimensional hydrogen wavefunctions as basis functions.
Yanoar Pribadi Sarwono   +2 more
doaj   +1 more source

Crystal structure, DFT and MEP study of (E)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol

open access: yesActa Crystallographica Section E: Crystallographic Communications, 2020
In the crystal structure of the title compound, C14H12ClNO, the molecules are linked through C—H...O hydrogen bonds and C—H...π interactions, forming chains parallel to the [010] direction.
Hanife Saraçoğlu   +4 more
doaj   +1 more source

Hydrogen-like spectrum of spontaneously created brane universes with de-Sitter ground state

open access: yesPhysics Letters B, 2018
Unification of Randall–Sundrum and Regge–Teitelboim brane cosmologies gives birth to a serendipitous Higgs–deSitter interplay. A localized Dvali–Gabadadze–Porrati scalar field, governed by a particular (analytically derived) double-well quartic potential,
Aharon Davidson
doaj   +1 more source

Phosphoinositides and inositol phosphates as molecular glues

open access: yesFEBS Letters, EarlyView.
Inositol phosphates (IPs) and phosphoinositides (PIPs) regulate diverse eukaryotic processes. Beyond recruiting signaling proteins or acting as structural cofactors, recent studies suggest they mediate protein–protein interactions as natural molecular glues.
Aleshia Seaton‐Terry   +9 more
wiley   +1 more source

A Variational Solution of the Schrödinger Equation in an Inhomogeneous Central Field

open access: yesEPJ Web of Conferences, 2018
The present work is devoted to the computer modeling of emission processes from the graphene surface which is a promising material for modern applications.
Tolstov Ilya   +2 more
doaj   +1 more source

Ionization Cross Sections in the Collision between Two Ground State Hydrogen Atoms at Low Energies

open access: yesAtoms, 2020
The interaction between two ground state hydrogen atoms in a collision was studied using the four-body classical trajectory Monte Carlo method. We present the total cross sections for the dominant channels, namely for the single ionization of the target,
Saed J. Al Atawneh   +4 more
doaj   +1 more source

Three phosphatase families form a community: The phosphohydrolases that act upon inositol pyrophosphates

open access: yesFEBS Letters, EarlyView.
Inositol pyrophosphates are energy‐rich signaling molecules that perform critical functions in cells. Three different families of phosphatases hydrolyze the β phosphate of the inositol pyrophosphate molecules: two have narrow specificities and one is promiscuous.
Ronda J. Rolfes
wiley   +1 more source

Vacuum Self-Dressing of an Atom and Its Physical Effects

open access: yesPhysics
We consider a multilevel atom, such as a hydrogen atom, interacting with the quantum electromagnetic field in the dressed ground state of the interacting system.
Roberto Passante, Lucia Rizzuto
doaj   +1 more source

Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions

open access: yesFEBS Letters, EarlyView.
The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang   +4 more
wiley   +1 more source

Two-Center Basis Generator Method Calculations for Li3+, C3+ and O3+ Ion Impact on Ground State Hydrogen

open access: yesAtoms, 2022
The two-center basis generator method is used to obtain cross sections for excitation, capture, and ionization in Li3+, C3+, and O3+ collisions with ground-state hydrogen at projectile energies from 1 to 100 keV/u.
Anthony C. K. Leung, Tom Kirchner
doaj   +1 more source

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