Understanding the Effect of Solvent on the Growth and Crystal Morphology of MTNP/CL-20 Cocrystal Explosive: Experimental and Theoretical Studies

Prediction of crystal morphology of 3,4-Dinitro-1H-pyrazole (DNP) in different solvents

(2017) Liang Song et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Adsorption behavior of acetone solvent at the HMX crystal faces: A molecular dynamics study

(2017) Yingzhe Liu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Growth morphology of CL-20/HMX cocrystal explosive: insights from solvent behavior under different temperatures

(2017) Gang Han et al.   JOURNAL OF MOLECULAR MODELING

Face-Dependent Solvent Adsorption: A Comparative Study on the Interfaces of HMX Crystal with Three Solvents

(2017) Yingzhe Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A novel multi-nitrogen 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane-based energetic co-crystal with 1-methyl-3,4,5-trinitropyrazole as a donor: experimental and theoretical investigations of intermolecular interactions

(2017) Qing Ma et al.   NEW JOURNAL OF CHEMISTRY

Understanding the growth morphology of explosive crystals in solution: insights from solvent behavior at the crystal surface

(2017) Yingzhe Liu et al.   RSC Advances

Theoretical insight into the temperature-dependent acetonitrile (ACN) solvent effect on the diacetone diperoxide (DADP)/1,3,5-tribromo-2,4,6-trinitrobenzene (TBTNB) cocrystallization

(2016) Hong-fei Gao et al.   COMPUTATIONAL MATERIALS SCIENCE

Crystal morphology of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF) in a solvent system: molecular dynamics simulation and sensitivity study

(2016) Ning Liu et al.   CRYSTENGCOMM

Crystal morphology prediction of 1,3,3-trinitroazetidine in ethanol solvent by molecular dynamics simulation

(2016) Wenyan Shi et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Growth and morphology of 1,3,5,7-tetranitro-1,3,5,7-tetraazacy-clooct ane (HMX) crystal

(2015) Tao Yan et al.   JOURNAL OF CRYSTAL GROWTH

Solvent Effects on the Growth Morphology and Phase Purity of CL-20

(2014) Jessica H. Urbelis et al.   CRYSTAL GROWTH & DESIGN

Prediction of Crystal Morphology of Cyclotrimethylene Trinitramine in the Solvent Medium by Computer Simulation: A Case of Cyclohexanone Solvent

(2014) Gang Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Characterization and Properties of a Novel Energetic–Energetic Cocrystal Explosive Composed of HNIW and BTF

(2012) Zongwei Yang et al.   CRYSTAL GROWTH & DESIGN

High Power Explosive with Good Sensitivity: A 2:1 Cocrystal of CL-20:HMX

(2012) Onas Bolton et al.   CRYSTAL GROWTH & DESIGN

Improved Stability and Smart-Material Functionality Realized in an Energetic Cocrystal

(2011) Onas Bolton et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Minimally augmented Karlsruhe basis sets

(2010) Jingjing Zheng et al.   THEORETICAL CHEMISTRY ACCOUNTS

What is Cooperativity?

(2009) Christopher A. Hunter et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The cooperativity of cation–π and π–π interactions

(2009) Dolly Vijay et al.   CHEMICAL PHYSICS LETTERS

A molecular dynamics simulation of solvent effects on the crystal morphology of HMX

(2009) Xiaohui Duan et al.   JOURNAL OF HAZARDOUS MATERIALS