Molecular switches activated by electromagnetic pulses: First-principles calculations
VC Felicissimo, J da Rocha Martins, IS Boldt… - Physical Review A …, 2009 - APS
In the present work, we investigate, through ab initio molecular dynamics simulations, the
molecular switching action (a hydrogen tautomerization reaction) in porphyrazine and …
molecular switching action (a hydrogen tautomerization reaction) in porphyrazine and …
Manipulation of Origin of Life Molecules: Recognizing Single-Molecule Conformations in β-Carotene and Chlorophyll-a/β-Carotene Clusters
AT Ngo, T Skeini, V Iancu, PC Redfern, LA Curtiss… - ACS …, 2018 - ACS Publications
Carotenoids and chlorophyll are essential parts of plant leaves and are involved in
photosynthesis, a vital biological process responsible for the origin of life on Earth. Here, we …
photosynthesis, a vital biological process responsible for the origin of life on Earth. Here, we …
Conductance switching of a phthalocyanine molecule on an insulating surface
KP Dou, CC Kaun - Frontiers of Physics, 2017 - Springer
We study the electron transport through the double-barrier junction consisted of the
phthalocyanine molecule adsorbed on a NaCl bilayer on a metal substrate and the STM tip …
phthalocyanine molecule adsorbed on a NaCl bilayer on a metal substrate and the STM tip …
A computational study on a multimode spin conductance switching by coordination isomerization in organometallic single-molecule junctions
Single-molecule junctions provide the additional flexibility of tuning the on/off conductance
states through molecular design. Here, we focus on a family of organometallic complexes …
states through molecular design. Here, we focus on a family of organometallic complexes …
STM-switching of organic molecules on semiconductor surfaces: an above threshold density matrix model for 1, 5 cyclooctadiene on Si (100)
K Zenichowski, C Nacci, S Fölsch, J Dokić… - Journal of Physics …, 2012 - iopscience.iop.org
The scanning tunnelling microscope (STM)-induced switching of a single cyclooctadiene
molecule between two stable conformations chemisorbed on a Si (100) surface is …
molecule between two stable conformations chemisorbed on a Si (100) surface is …
Manipulation of single Si adatoms and observation of fast diffusion of Si dimers on a Pb-covered Si (111) surface
The authors demonstrate lateral manipulation of individual Si adatoms on the Si (111)( 7×
3)-Pb surface at∼ 125 K using the tip of a scanning tunneling microscope (STM). At this …
3)-Pb surface at∼ 125 K using the tip of a scanning tunneling microscope (STM). At this …
Scrutinizing the Endohedral Space: Superatom States and Molecular Machines
M Feng, H Petek - Endohedral Fullerenes: Electron Transfer and Spin, 2017 - Springer
In this chapter, we discuss two topics concerning the inner space of hollow molecules such
as fullerenes, nanotubes, and even potentially materials like metal-organic frameworks. The …
as fullerenes, nanotubes, and even potentially materials like metal-organic frameworks. The …
Temporal and steric analysis of ionic permeation and binding in SERCA via molecular dynamic simulations
JE Fonseca, S Kaya, RF Rakowski - Nanotechnology, 2007 - iopscience.iop.org
The availability of the crystal structure of the sarco (endo) plasmic reticulum calcium ATPase
(SERCA) has allowed atomic-level molecular dynamic (MD) simulations of this membrane …
(SERCA) has allowed atomic-level molecular dynamic (MD) simulations of this membrane …
Vibrational heating in single-molecule switches: an energy-dependent density-of-states approach
In recent experiments, it has been shown that the switching rate of single-molecule switches
can show a rather complicated dependence on the applied bias voltage. Here, we discuss a …
can show a rather complicated dependence on the applied bias voltage. Here, we discuss a …