Results 241 to 250 of about 8,164,077 (301)

Autonomous learning of generative models with chemical reaction network ensembles. [PDF]

J R Soc Interface
Poole W, Ouldridge TE, Gopalkrishnan M.
europepmc   +1 more source

Enhancing chemical reaction search through contrastive representation learning and human-in-the-loop. [PDF]

J Cheminform
Kwon Y, Jeon H, Choi J, Choi YS, Kang S.
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γ‑Butyrolactone Synthesis from Allylic Alcohols Using the CO2 Radical Anion

Precision Chemistry
Saeesh R. Mangaonkar, Hiroki Hayashi, Wataru Kanna, Suvankar Debbarma, Yu Harabuchi, Satoshi Maeda, Tsuyoshi Mita   +6 more
doaj   +1 more source

Exploring the programmability of autocatalytic chemical reaction networks. [PDF]

Nat Commun
Kriukov DV, Huskens J, Wong ASY.
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Physics-informed machine learning for automatic model reduction in chemical reaction networks. [PDF]

Sci Rep
Pateras J, Zhang C, Majumdar S, Pal A, Ghosh P.   +4 more
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Chemical reaction enhanced graph learning for molecule representation. [PDF]

Bioinformatics
Li A, Casiraghi E, Rousu J.
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Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks. [PDF]

J Phys Chem A
Müller CH, Steiner M, Unsleber JP, Weymuth T, Bensberg M, Csizi KS, Mörchen M, Türtscher PL, Reiher M.   +8 more
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‘Acceleration’ of Chemical Reactions

Nature, 1956
IN a recent monograph on the thermodynamics of irreversible processes, Prigogine1 has investigated in some detail the time variation of the entropy production (d2S/dt 2). An examination of the implications of the general theory for the case of a chemical reaction leads to some interesting new concepts.
Raw, C. J. G., Yourgrau, W.
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Nonadiabatic chemical reactions

Computer Physics Communications, 2005
A mixed quantum-classical approach where the environment is treated classically and the reactive degrees of freedom are considered to be quantum mechanical can be used to describe many chemical reactions, such as proton and electron transfer processes.
SERGI, ALESSANDRO, Kapral, Raymond
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Chemical Reactions on Clays

Science, 1987
Layer aluminosilicates catalyze reactions in numerous ways. They stabilize high-energy intermediates. They can store energy in their lattice structures and can release it in the form of chemical energy. They can catalyze redox reactions and can serve as photocatalytic devices. They often exhibit high surface acidity.
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