Results 31 to 40 of about 2,372,774 (365)
Pauli's Principle in Probe Microscopy [PDF]
, 2014 Exceptionally clear images of intramolecular structure can be attained in dynamic force microscopy through the combination of a passivated tip apex and operation in what has become known as the "Pauli exclusion regime" of the tip-sample interaction.
A Riss +47 more
core +2 more sources
Frontiers in Chemistry, 2019 We theoretically investigate graphene layers, proposing them as membranes of subnanometer size suitable for CH4/N2 separation and gas uptake. The observed potential energy surfaces, representing the intermolecular interactions within the CH4/N2 gaseous ...
Jelle Vekeman +8 more
doaj +1 more source
Marine Drugs, 2021 Floating chirality restrained distance geometry (fc-rDG) calculations are used to directly evolve structures from NMR data such as NOE-derived intramolecular distances or anisotropic residual dipolar couplings (RDCs).
Stefan Immel +2 more
doaj +1 more source
Atomic force microscopy shows that vaccinia topoisomerase IB generates filaments on DNA in a cooperative fashion [PDF]
, 2005 Type IB DNA topoisomerases cleave and rejoin one strand of the DNA duplex, allowing for the removal of supercoils generated during replication and transcription.
Dekker, Cees +5 more
core +2 more sources
Quantum Zeno Suppression of Intramolecular Forces [PDF]
Physical Review Letters, 2017 We show that Born-Oppenheimer surfaces can intrinsically decohere, implying loss of coherence among constituent electronic basis states. We consider the example of interatomic forces due to resonant dipole-dipole interactions within a dimer of highly excited Rydberg atoms, embedded in an ultracold gas.
openaire +5 more sources
Configurational temperature control for atomic and molecular systems [PDF]
, 1994 A new configurational temperature thermostat suitable for molecules with holonomic constraints is derived. This thermostat has a simple set of motion equations, can generate the canonical ensemble in both position and momentum space, acts homogeneously ...
Braga, C., Travis, K.P.
core +6 more sources
Microscopic mechanisms of thermal and driven diffusion of non rigid molecules on surfaces [PDF]
, 2002 The motion of molecules on solid surfaces is of interest for technological applications such as catalysis and lubrication, but it is also a theoretical challenge at a more fundamental level.
A. Fasolino +19 more
core +2 more sources
Grand Canonical Adaptive Resolution Simulation for Molecules with Electrons: A Theoretical Framework based on Physical Consistency [PDF]
, 2017 A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules.
Bing Zhang (129) +9 more
core +2 more sources
Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force Field [PDF]
Journal of Chemical Theory and Computation, 2022 The capability of current force fields to reproduce RNA structural dynamics is limited. Several methods have been developed to take advantage of experimental data in order to enforce agreement with experiments. Here, we extend an existing framework which
Thorben Fröhlking +7 more
semanticscholar +1 more source
Antibacterial Studying of Silver Nanoparticles Synthesized by Chemical Reduction Method Using Different Stabilized Concentrations [PDF]
Journal of Applied Sciences and Nanotechnology, 2022 Silver nanoparticles were prepared by the chemical reduction method. Silver nitrate was taken as a metal precursor and sodium borohydride as a reducing agent with polyvinyl alcohol (PVA) stabilizers of different concentrations, polyvinylpyrrolidone (PVP).
Zahraa Ghazi +3 more
doaj +1 more source