Results 21 to 30 of about 429,402 (391)

CHARMM-GUI supports the Amber force fields.

Journal of Chemical Physics, 2020
As part of our ongoing efforts to support diverse force fields and simulation programs in CHARMM-GUI, this work presents the development of FF-Converter to prepare Amber simulation inputs with various Amber force fields within the current CHARMM-GUI ...
Jumin Lee, Manuel Hitzenberger, Manuel Rieger, Nathan R. Kern, M. Zacharias, W. Im   +5 more
semanticscholar   +1 more source

Synthesis of layered platelets by self-assembly of rhenium-based clusters directed by long-chain amines

npj 2D Materials and Applications, 2017
Materials science: Small molecules hold atomic clusters together Scaffolds made of chain-shaped molecules can be erected and dismantled to control the assembly of small atomic clusters.
Andrés Seral-Ascaso, Clive Downing, Hannah C. Nerl, Anuj Pokle, Sonia Metel, Joao Coelho, Nina C. Berner, Andrew Harvey, Karsten Rode, Manuel Ruether, Owen Hickey, Georg Duesberg, Jonathan Coleman, Valeria Nicolosi   +13 more
doaj   +1 more source

"Advanced" data reduction for the AMBER instrument [PDF]

, 2008
The amdlib AMBER data reduction software is meant to produce AMBER data products from the raw data files that are sent to the PIs of different proposals or that can be found in the ESO data archive.
Millour, Florentin, Petrov, Romain, Valat, Bruno, Vannier, Martin   +3 more
core   +5 more sources

Amber [PDF]

Archaeological Journal, 1901
The Archaeological Journal, 58, 35 ...
openaire   +2 more sources

Non-resonant light scattering in dispersions of 2D nanosheets

Nature Communications, 2018
Quantitative analysis of the extinction spectra of dispersions of 2D materials is complicated by light scattering. Here, the authors investigate non-resonant scattering in suspensions of wide-bandgap nanosheets, and develop a general model which allows ...
Andrew Harvey, Claudia Backes, John B. Boland, Xiaoyun He, Aideen Griffin, Beata Szydlowska, Cian Gabbett, John F. Donegan, Jonathan N. Coleman   +8 more
doaj   +1 more source

Fabrication of Dimensional and Structural Controlled Open Pore, Mesoporous Silica Topographies on a Substrate

Nanomaterials, 2022
Open pore mesoporous silica (MPS) thin films and channels were prepared on a substrate surface. The pore dimension, thickness and ordering of the MPS thin films were controlled by using different concentrations of the precursor and molecular weight of ...
Tandra Ghoshal, Atul Thorat, Nadezda Prochukhan, Michael A. Morris   +3 more
doaj   +1 more source

First AMBER/VLTI observations of hot massive stars [PDF]

, 2005
AMBER is the first near infrared focal instrument of the VLTI. It combines three telescopes and produces spectrally resolved interferometric measures. This paper discusses some preliminary results of the first scientific observations of AMBER with three ...
Accardo, M., Antonelli, P., Beckmann, U., Behrend, J., Bonhomme, S., Bonneau, D., Bresson, Y., Busoni, S., Chelli, A., Chesneau, O., Clausse, J. M., Coarer, E. Le, Delboulbe, A., Driebe, Th., Dugué, M., Duvert, G., Feautrier, Ph., Ferruzi, D., Foy, Renaud, Fraix-Burnet, D.,, Gennari, S., Gluck, L., Heininger, M., Hofmann, K. H., Isella, A., Kern, P., Kraus, S., Lagarde, S., Lisi, F., Malbet, F., Marconi, A., Mathias, Ph., Meilland, A., Millour, F., Monin, J.-L., Mourard, D., Nussbaum, E., Ohnaka, K., Perraut, K., Petrov, R. G., Puget, P., Robbe-Dubois, S., Roussel, A., Salinari, P., Schertl, D., Stee, Ph., Tatulli, E., Testi, L., Vannier, M., Weigelt, G., Zins, G.   +50 more
core   +3 more sources

Z-DNA as a Touchstone for Additive Empirical Force Fields and a Refinement of the Alpha/Gamma DNA torsions for AMBER

bioRxiv, 2021
Although current AMBER force fields are relatively accurate for canonical B-DNA, many non-canonical structures are still described incorrectly. As non-canonical motifs are attracting increasing attention due to the role they play in living organisms ...
Marie Zgarbová, J. Šponer, P. Jurečka
semanticscholar   +1 more source

Additive-free MXene inks and direct printing of micro-supercapacitors

Nature Communications, 2019
Printing functional inks is attractive for applications in electrochemical energy storage and smart electronics, among others. Here the authors report highly concentrated, additive-free, aqueous and organic MXene-based inks that can be used for high ...
Chuanfang (John) Zhang, Lorcan McKeon, Matthias P. Kremer, Sang-Hoon Park, Oskar Ronan, Andrés Seral‐Ascaso, Sebastian Barwich, Cormac Ó Coileáin, Niall McEvoy, Hannah C. Nerl, Babak Anasori, Jonathan N. Coleman, Yury Gogotsi, Valeria Nicolosi   +13 more
doaj   +1 more source

Cyclic production of biocompatible few-layer graphene ink with in-line shear-mixing for inkjet-printed electrodes and Li-ion energy storage

npj 2D Materials and Applications, 2022
The scalable production of two-dimensional (2D) materials is needed to accelerate their adoption to industry. In this work, we present a low-cost in-line and enclosed process of exfoliation based on high-shear mixing to create aqueous dispersions of few ...
Tian Carey, Abdelnour Alhourani, Ruiyuan Tian, Shayan Seyedin, Adrees Arbab, Jack Maughan, Lidija Šiller, Dominik Horvath, Adam Kelly, Harneet Kaur, Eoin Caffrey, Jong M. Kim, Hanne R. Hagland, Jonathan N. Coleman   +13 more
doaj   +1 more source