Results 21 to 30 of about 91,814 (336)
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
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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
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Research Progress on Acid Resistance Modification of Enzymes and Application in Ochratoxin A Degradation [PDF]
Shipin Kexue, 2023 Proteases have the advantages of high catalytic efficiency and strong specificity, which are widely used in food, chemical, medicine and other industrial fields.
ZHAO Zitong, ZHANG Zhenzhen, ZHANG Haoxiang, RUAN Li, LIANG Zhihong, WANG Honglei
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Vibrational Assignments and Intramolecular Force Field of Trimethylaluminum [PDF]
Bulletin of the Chemical Society of Japan, 1965 Abstract A vacuum infrared cell for reactive or intermediate species has been devised by the use of polyethylene sheets as optical windows. The infrared spectra in the 4000–3100cm−1, 2500–1500 cm−1, 1250–750 cm−1 and 700–65 cm−1 regions can be measured with this liquid cell.
Teiichiro Ogawa +2 more
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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
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On the
Journal of Computational Chemistry, 2020 AbstractFFLUX is a biomolecular force field under construction, based on Quantum Chemical Topology (QCT) and machine learning (kriging), with a minimalistic and physically motivated design. A detailed analysis of the forces within the kriging models as treated in FFLUX is presented, taking as a test example a liquid water model.
Anton Konovalov +2 more
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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
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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.
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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
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Data in Brief, 2016 We here give information for a deeper understanding of single molecule force spectroscopy (SMFS) data through the example of the blood protein von Willebrand factor (VWF).
Sandra Posch +14 more
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