Results 31 to 40 of about 852,716 (331)

Deep-Learning-Guided High-Throughput Evaluation of Ligands for Selective Sr/Cs Coordination

He huaxue yu fangshe huaxue, 2023
From a coordination chemistry perspective, we aimed to advance the knowledge of Sr/Cs separation in the scheme of spent nuclear fuel reprocessing. Based on data mining of crystal structures and deep learning architecture, we summarized and analyzed ...
ZHANG Zhi-yuan, DONG Yue, QIU Yu-qing, BI Ke-xin, HU Kong-qiu, DAI Yi-yang, ZHOU Li, LIU Chong, JI Xu, SHI Wei-qun   +9 more
doaj   +1 more source

A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy [PDF]

, 2015
A configurable platform for synthetic chemistry incorporating an in-line benchtop NMR that is capable of monitoring and controlling organic reactions in real-time is presented.
Cronin, Leroy, Dragone, Vincenza, Porwol, Luzian, Sans Sangorrin, Victor   +3 more
core   +2 more sources

Queer in Chem: Q&A with Professor Polly Arnold

Communications Chemistry, 2023
Polly Arnold is a Professor of chemistry at the University of California, Berkeley and Director of the Chemical Sciences Division at Lawrence Berkeley National Laboratory in the US. Polly’s research focuses on exploratory synthetic chemistry.
doaj   +1 more source

Solving the Nose-Hoover thermostat for Nuclear Pasta [PDF]

, 2006
In this work we present a calculation of the hamiltonian variables solving the molecular dynamics equations of motion for a system of nuclear matter relevant to the description of nuclear pasta.
Garcia, M. Angeles Perez
core   +2 more sources

Research Advance of Nuclear Chemistry and Radiochemistry in China

He huaxue yu fangshe huaxue
Both nuclear chemistry and radiochemistry are fundamental disciplines，which play a vital role in national nuclear safety and sustainable development of nuclear energy.
Xue-jie SUN, Sheng-dong ZHANG, Kun HUANG, Zhen-hua YU, En-zhao MA, Fa-yuan GANG, Su-liang YANG, Xiu-feng WANG, You-qian DING   +8 more
doaj   +1 more source

Nuclear Structure Calculations with Coupled Cluster Methods from Quantum Chemistry

, 2004
We present several coupled-cluster calculations of ground and excited states of 4He and 16O employing methods from quantum chemistry. A comparison of coupled cluster results with the results of exact diagonalization of the hamiltonian in the same model ...
Bartlett, Coester, Coester, Crawford, D.J. Dean, Dean, Dean, G. Hagen, Guardiola, Hagen, Heisenberg, Helgaker, Hjorth-Jensen, Id Betan, J.R. Gour, K. Kowalski, Kowalski, Kowalski, Kowalski, Kowalski, Kucharski, Kümmel, M. Hjorth-Jensen, M. Włoch, Michel, Monkhorst, Navrátil, Navrátil, Navrátil, P. Piecuch, Paldus, Piecuch, Piecuch, Piecuch, Piecuch, Pieper, Stanton, T. Papenbrock, Čížek, Čížek   +39 more
core   +1 more source

The Dirac-Frenkel Principle for Reduced Density Matrices, and the Bogoliubov-de-Gennes Equations [PDF]

, 2018
The derivation of effective evolution equations is central to the study of non-stationary quantum many-body sytems, and widely used in contexts such as superconductivity, nuclear physics, Bose-Einstein condensation and quantum chemistry.
Benedikter, Niels, Sok, Jérémy, Solovej, Jan Philip   +2 more
core   +5 more sources

Spatially Resolved Chemistry in Nearby Galaxies I. The Center of IC 342

, 2004
We have imaged emission from the millimeter lines of eight molecules--C2H, C34S, N2H+, CH3OH, HNCO, HNC, HC3N, and SO--in the central half kpc of the nearby spiral galaxy IC 342. The 5" (~50 pc) resolution images were made with OVRO.
Athanassoula E., Brouillet N., Chin Y.-N., Chung H. S., Dahmen G., David S. Meier, de Vicente P., Demyk K., Dickinson A. S., Downes D., Friberg P., Fuente A., Garcia-Burillo S., Hasegawa T. I., Heikkila A., Heithausen A., Henkel C., Henkel C., Henkel C., Ho P. T. P., Hudson R. L., Huggins P. J., Huttemeister S., Huttemeister S., Huttemeister S., Huttemeister S., Jean L. Turner, Kalenskii S. V., Kalenskii S. V., Lapinov A. V., Lucas R., Mauersberger R., Mauersberger R., Mauersberger R., Mauersberger R., Mauersberger R., Mauersberger R., Mauersberger R., Mauersberger R., Menten K. M., Millar T. J., Morata O., Nguyen, Nguyen, Nilsson A., Nyman L.-A., Nyman L.-A., Sandell G., Schilke P., Schutte W. A., Sorai K., Takano S., Talbi D., Talbi D., Truong-Bach, Watt G. D., Watt G. D., Wilson T. L., Zinchenko I.   +58 more
core   +1 more source

Metal-Based Radiopharmaceuticals in Inorganic Chemistry

Molecules, 2023
The field of radiopharmaceuticals is constantly evolving thanks to the great contribution of specialists coming from different disciplines such as inorganic chemistry, radiochemistry, organic and biochemistry, pharmacology, nuclear medicine, physics, etc
Alessandra Boschi, Petra Martini
doaj   +1 more source

Mathematics for Non-Science Majors Chemistry Course [PDF]

, 2002
A chemistry course developed for non-science majors has been taught at Virginia Commonwealth University for the past five years. CHEM 112 uses current event articles from science magazines to make use of a verbal channel of learning in non-science majors,
Shillady, D. D.
core   +1 more source