Results 11 to 20 of about 590,847 (290)

Profiles of electrostatic potential across the water-vapor, ice-vapor and ice-water interfaces [PDF]

, 2016
Ice-water, water-vapor interfaces and ice surface are studied by molecular dynamics simulations with the SPC/E model of water molecules having the purpose to estimate the profiles of electrostatic potential across the interfaces.
Bryk, T., Haymet, A. D. J.
core   +2 more sources

Modelling of potentials for interparticle interactions between methanol molecules [PDF]

, 2017
Peculiarities of interparticle interactions between methanol molecules in the methanol vapor are investigated. The bare potential is considered as a sum of repulsive, dispersive and electrostatic forces.
Malomuzh, N. P., Timofeev, M. V.
core   +4 more sources

Can We Merge the Weak and Strong Tetrel Bonds? Electronic Features of Tetrahedral Molecules Interacted with Halide Anions

Molecules, 2022
Using the orbital-free quantum crystallography approach, we have disclosed the quantitative trends in electronic features for bonds of different strengths formed by tetrel (Tt) atoms in stable molecular complexes consisting of electrically neutral ...
Ekaterina V. Bartashevich, Svetlana E. Mukhitdinova, Iliya V. Klyuev, Vladimir G. Tsirelson   +3 more
doaj   +1 more source

Chelate Coordination Compounds as a New Class of High-Energy Materials: The Case of Nitro-Bis(Acetylacetonato) Complexes

Molecules, 2021
The existence of areas of strongly positive electrostatic potential in the central regions of the molecular surface of high-energy molecules is a strong indicator that these compounds are very sensitive towards detonation.
Danijela S. Kretić, Ivana S. Veljković, Aleksandra B. Đunović, Dušan Ž. Veljković   +3 more
doaj   +1 more source

Study on Abundant Dust-Ion-Acoustic Solitary Wave Solutions of a (3+1)-Dimensional Extended Zakharov–Kuznetsov Dynamical Model in a Magnetized Plasma and Its Linear Stability

Fractal and Fractional, 2023
This article examines how shocks and three-dimensional nonlinear dust-ion-acoustic waves propagate across uniform magnetized electron–positron–ion plasmas.
Muhammad Arshad, Aly R. Seadawy, Muhammad Tanveer, Faisal Yasin   +3 more
doaj   +1 more source

Electrostatic potential molecular surfaces. [PDF]

Proceedings of the National Academy of Sciences, 1982
Color-coded computer graphics representations of the electrostatic potentials of trypsin, trypsin-inhibitor, prealbumin and its thyroxine complex, fragments of double-helical DNA, and a netropsin--DNA complex illustrate the electrostatic and topographic complementarity in macromolecule-ligand interactions.
P K, Weiner, R, Langridge, J M, Blaney, R, Schaefer, P A, Kollman   +4 more
openaire   +2 more sources

Phosphorylation of Tyrosine 841 Plays a Significant Role in JAK3 Activation

Life, 2023
Janus Kinase 3 (JAK3) plays a key role in the development, proliferation, and differentiation of various immune cells. It regulates gene expression by phosphorylation of Signal Transducers and Activators of Transcriptions (STATs) via the JAK/STAT pathway.
Shengjie Sun, Georgialina Rodriguez, Yixin Xie, Wenhan Guo, Alan E. Lopez Hernandez, Jason E. Sanchez, Robert Arthur Kirken, Lin Li   +7 more
doaj   +1 more source

Electrostatic potential of human immunodeficiency virus type 2 and rhesus macaque simian immunodeficiency virus capsid proteins

Frontiers in Microbiology, 2012
Human immunodeficiency virus type 2 (HIV-2) and simian immunodeficiency virus isolated from a macaque monkey (SIVmac) are assumed to have originated from simian immunodeficiency virus isolated from sooty mangabey (SIVsm).
Katarzyna eBozek, Emi E. Nakayama, Ken eKono, Tatsuo eShioda   +3 more
doaj   +1 more source

Anomalies in electrostatic calibrations for the measurement of the Casimir force in a sphere-plane geometry [PDF]

, 2008
We have performed precision electrostatic calibrations in the sphere-plane geometry and observed anomalous behavior. Namely, the scaling exponent of the electrostatic signal with distance was found to be smaller than expected on the basis of the pure ...
D. A. R. Dalvit, E. Fischbach, H. B. G. Casimir, J. H. Brownell, M. Brown-Hayes, P. W. Milonni, R. Onofrio, W. J. Kim   +7 more
core   +3 more sources

Hierarchical dielectric orders in layered ferroelectrics Bi2SiO5

IUCrJ, 2014
Electric dipole engineering is now an emerging technology for high electron-mobility transistors, ferroelectric random access memory and multiferroic devices etc.
Younghun Kim, Jungeun Kim, Akihiko Fujiwara, Hiroki Taniguchi, Sungwng Kim, Hiroshi Tanaka, Kunihisa Sugimoto, Kenichi Kato, Mitsuru Itoh, Hideo Hosono, Masaki Takata   +10 more
doaj   +1 more source