Results 51 to 60 of about 7,644,829 (380)
A backend-agnostic, quantum-classical framework for simulations of chemistry in C++ [PDF]
, 2021 As quantum computing hardware systems continue to advance, the research and development of performant, scalable, and extensible software architectures, languages, models, and compilers is equally as important in order to bring this novel coprocessing capability to a diverse group of domain computational scientists.
arxiv +1 more source
The Applications of Physical Chemistry to Organic Chemistry [PDF]
Science, 1908 n ...
openaire +3 more sources
Guest Editorial: Special Topic on Data-enabled Theoretical Chemistry [PDF]
Matthias Rupp, O. Anatole von Lilienfeld, Kieron Burke: Guest
Editorial: Special Topic on Data-enabled Theoretical Chemistry, The Journal
of Chemical Physics 148(24): 241401, 2018, 2018 A survey of the contributions to the Special Topic on Data-enabled Theoretical Chemistry is given, including a glossary of relevant machine learning terms.
arxiv +1 more source
Examination of Prooxidative Activity of Red Wine in Melanoma Cells [PDF]
, 2021 Melanoma is responsible for 75% of all deaths from skin cancer. Its lethality arises from its rapid progression, easy metastasis and drug-resistance as well.
Korićanac, Lela +6 more
core
The Effects of Metal Complexes of Nano-Graphene Oxide to Thermal Decomposition of FOX-7
Nanomaterials, 2020 1,1-diamino-2,2-dinitroethene (FOX-7) an insensitive high-energetic compound, has rarely been reported previously with respect to combustion performance.
Chongmin Zhang +5 more
doaj +1 more source
Physical properties and crystal chemistry of Ce2Ga12Pt
, 2012 Single crystals of the new ternary compound Ce2Ga12Pt were prepared by the self-flux technique. The crystal structure with the space group P4/nbm was established from single-crystal X-ray diffraction data and presents a derivative of the LaGa6Ni0.6 ...
Grin, Yuri +4 more
core +1 more source
Inverse Quantum Chemistry: Concepts and Strategies for Rational Compound Design [PDF]
International Journal of Quantum Chemistry, Volume 114, Issue 13,
pages 823-837, 5 July 2014, 2014 The rational design of molecules and materials is becoming more and more important. With the advent of powerful computer systems and sophisticated algorithms, quantum chemistry plays an important role in rational design. While traditional quantum chemical approaches predict the properties of a predefined molecular structure, the goal of inverse quantum
arxiv +1 more source
FEBS Letters, EarlyView.In lymphoid organs, antigen recognition and B cell receptor signaling rely on integrins and the cytoskeleton. Integrins act as mechanoreceptors, couple B cell receptor activation to cytoskeletal remodeling, and support immune synapse formation as well as antigen extraction.
Abhishek Pethe, Tanja Nicole Hartmann
wiley +1 more source