Results 241 to 250 of about 9,670,708 (343)

Residue-Specific Dock-Loosen-Unfold Mechanism of GB1 on Nanoparticle Surfaces Revealed by Kinetic and Φ-Value Analysis. [PDF]

Biomolecules
Liu T, Bian Y, Wang S, Li Y, Cao Y, Jiao Y, Pan H.   +6 more
europepmc   +1 more source

Preparation of Highly Active Mg-Al-Li-B Alloys via High-Temperature Sintering. [PDF]

Materials (Basel)
Wang Y, Xu H, Zhuang Z, He J, Peng W, Zhang X, Chen H, Zhou L.   +7 more
europepmc   +1 more source

Tunable mechanics and energetics in structurally diverse TNPG-based metal organic networks. [PDF]

Chem Sci
Karak S, Khata S, Ahmad S, Yadav AK, AlMasoud N, Alomar TS, Dharavath S, Reddy CM, Banerjee R.   +8 more
europepmc   +1 more source

Molecular Catalysts for the Hydrogen Evolution Reaction: A First-Principles Study. [PDF]

ACS Omega
Lemay S, Paradis F, Cibian M, Antonius G.   +3 more
europepmc   +1 more source

Toxic Effects of the Most Common Components of Energetic Co-Crystals. [PDF]

Molecules
Peng X, Li C, Li H, Deng H, Lv X, Gao T, Shen J, Zhao B, Liu Z, Gao J.   +9 more
europepmc   +1 more source

The role of ultrasound in the nucleation kinetics and Modification of product properties of 3-Nitro-1,2,4-triazol-5-one. [PDF]

Ultrason Sonochem
Hu X, Wu H, Chang P, Zhang Y, Xu C, Zhai L, Wang B.   +6 more
europepmc   +1 more source

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A potential insensitive-highly-energetic material through conjugation-promoted N-oxidation strategy

Chemical Engineering Journal, 2021
Striking a well balance between energy, sensitivity and thermostability of high performing organic materials has become a big challenge in the community of energetic materials. In the recent years, simple N-oxidation approach based on nitropyrimidine and
Zhen Cheng, Zhen-qi Zhang, Q. Ma, Lei Yang, Hongwei Yang, G. Cheng, Guijuan Fan, Wei Yang   +7 more
semanticscholar   +1 more source

A high density and insensitive fused [1,2,3]triazolo–pyrimidine energetic material

, 2021
A novel fused triazolo-pyrimidine energetic compound was synthesized by the two-step diazotization-nitrification method or one-step direct nitration reaction.
Guojie Zhang, Hualin Xiong, Pengju Yang, Caijin Lei, Wei Hu, G. Cheng, Hongwei Yang   +6 more
semanticscholar   +1 more source

Prediction of Energetic Material Properties from Electronic Structure Using 3D Convolutional Neural Networks

Journal of Chemical Information and Modeling, 2020
We develop a convolutional neural network capable of directly parsing the 3D electronic structure of a molecule described by spatial point data for charge density and electrostatic potential represented as a 4D tensor.
Alex D. Casey, S. Son, Ilias Bilionis, Brian C. Barnes   +3 more
semanticscholar   +1 more source