Theoretic design of 1,2,3,4-tetrazine-1,3-dioxide-based high-energy density compounds with oxygen balance close to zero

Computational studies on the heats of formation, energetic properties, and thermal stability of energetic nitrogen-rich furazano[3,4-b]pyrazine-based derivatives

(2012) Yong Pan et al.   Computational and Theoretical Chemistry

Quantum chemical studies on the structure and detonation properties of the fused polynitrodiazoles: New high energy density molecules

(2011) P. Ravi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Computational study of energetic nitrogen-rich derivatives of 1,1′- and 5,5′-bridged ditetrazoles

(2011) Weihua Zhu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Theoretical Studies on the Heats of Formation, Detonation Properties, and Pyrolysis Mechanisms of Energetic Cyclic Nitramines

(2011) Fang Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Trinitromethyl-Substituted 5-Nitro- or 3-Azo-1,2,4-triazoles: Synthesis, Characterization, and Energetic Properties

(2011) Venugopal Thottempudi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT study on energetic tetrazolo-[1,5-b]-1,2,4,5-tetrazine and 1,2,4-triazolo-[4,3-b]-1,2,4,5-tetrazine derivatives

(2010) Tao Wei et al.   JOURNAL OF HAZARDOUS MATERIALS

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

(2010) Felipe A. Bulat et al.   JOURNAL OF MOLECULAR MODELING

A comparison of high-level theoretical methods to predict the heats of formation of azo compounds

(2010) Tao Wei et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Quantum chemical studies on the fused nitroazoles

(2010) P. Ravi et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Theoretical studies of furoxan-based energetic nitrogen-rich compounds

(2010) Weihua Zhu et al.   STRUCTURAL CHEMISTRY

A DFT theoretical study of heats of formation and detonation properties of nitrogen-rich explosives

(2009) Mounir Jaidann et al.   JOURNAL OF HAZARDOUS MATERIALS

Molecular Design of 1,2,4,5-Tetrazine-Based High-Energy Density Materials

(2009) Tao Wei et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Comparative Theoretical Studies of Energetic Substituted Carbon- and Nitrogen-Bridged Difurazans

(2009) Xiaowen Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An electrostatic interaction correction for improved crystal density prediction

(2009) Peter Politzer et al.   MOLECULAR PHYSICS

A REVIEW OF POLYCYCLIC AROMATIC ENERGETIC MATERIALS

(2009) Lemi Türker et al.   POLYCYCLIC AROMATIC COMPOUNDS

Molecular dynamics study of binding energies, mechanical properties, and detonation performances of bicyclo-HMX-based PBXs

(2008) Ling Qiu et al.   JOURNAL OF HAZARDOUS MATERIALS

Environmentally compatible next generation green energetic materials (GEMs)

(2008) M.B. Talawar et al.   JOURNAL OF HAZARDOUS MATERIALS