|
|
|
|
|
Ahyssa R. Cruz and Walter C. Ermler
A code MolecGeom, based on algorithms for stepwise distortions of bond lengths, bond angles and dihedral angles of polyatomic molecules, is presented. Potential energy surfaces (PESs) are curated in terms of the energy for each molecular geometry. PESs b...
ver más
|
|
|
|
|
|
|
|
|
|
|
Laura Orellana
At the very deepest molecular level, the mechanisms of life depend on the operation of proteins, the so-called ?workhorses? of the cell. Proteins are nanoscale machines that transform energy into useful cellular work, such as ion or nutrient transport, i...
ver más
|
|
|
|
|
|
|
|
|
|
|
Zhaoliang Xing, Chong Zhang, Mengyao Han, Ziwei Gao, Qingzhou Wu and Daomin Min
The development of direct current high-voltage power cables requires insulating materials having excellent electrically insulation properties. Experiments show that appropriate nanodoping can improve the breakdown strength of polyethylene (PE) nanocompos...
ver más
|
|
|
|
|
|
|
|
|
|
|
A.G. Ivanov?Rostovtsev,L.G. Kolotilo
Pág. 35 - 44
An algorithm for controlling the dynamics of real systems has been developed. The algorithm is based on the space-time symmetry of D-SELF motion parameters in open dynamical systems. A balanced, discrete-continuous mode of displacement is calculated as a...
ver más
|
|
|
|
|
|
|
|
|
|
|
Jaime F. Cárdenas-García
Info-autopoiesis or the self-referenced, recursive, interactive process of information self-production that engages all living beings in their efforts to satisfy their physiological and/or relational needs relies on Bateson?s difference which makes a dif...
ver más
|
|
|
|
|
|
|
|
|
|
|
Peter Walter, Micheal Holmes, Razib Obaid, Lope Amores, Xianchao Cheng, James P. Cryan, James M. Glownia, Xiang Li, Ming-Fu Lin, May Ling Ng, Joseph Robinson, Niranjan Shivaram, Jing Yin, David Fritz, Justin James, Jean-Charles Castagna and Timur Osipov
Free-electron lasers (FEL), with their ultrashort pulses, ultrahigh intensities, and high repetition rates at short wavelength, have provided new approaches to Atomic and Molecular Optical Science. One such approach is following the birth of a photo elec...
ver más
|
|
|
|
|
|
|
|
|
|
|
Meili Zhang and Yong Xin
For the degree of orderly arrangement of the molecular chains at the interface of nanocomposites, the static and sheared polyethylene (PE)/carbon nanotube (CNT) models and the sheared pure PE model were constructed, and molecular simulation experiments w...
ver más
|
|
|
|
|
|
|
|
|
|
|
Meili Zhang and Yong Xin
Aimed at the molding of polymer nanostructure parts, the interface model between long- and short-chain polycarbonates (PC) and nickel mold inserts was established by the molecular dynamics method. The molecular mechanism of the replication capability of ...
ver más
|
|
|
|
|
|
|
|
|
|
|
Marjan Bakhtiari-Nejad and Shima Shahab
Many biomedical applications such as ultrasonic targeted drug delivery, gene therapy, and molecular imaging entail the problems of manipulating microbubbles by means of a high-intensity focused ultrasound (HIFU) pressure field; namely stable cavitation. ...
ver más
|
|
|
|
|
|
|
|
|
|
|
Giovanni Ciccotti and Mauro Ferrario
A dynamical system submitted to holonomic constraints is Hamiltonian only if considered in the reduced phase space of its generalized coordinates and momenta, which need to be defined ad hoc in each particular case. However, specially in molecular simula...
ver más
|
|
|
|
|
|