Theoretical studies on the stability of phenylpentazole and its substituted derivatives of –OH, –OCH3, –OC2H5and –N(CH3)2

The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction path

(2014) S. Franzen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A new design strategy for high-energy low-sensitivity explosives: combining oxygen balance equal to zero, a combination of nitro and amino groups, and N-oxide in one molecule of 1-amino-5-nitrotetrazole-3N-oxide

(2014) Qiong Wu et al.   Journal of Materials Chemistry A

The photochemistry of an aryl pentazole in liquid solutions: The anionic 4-oxidophenylpentazole (OPP)

(2013) Uzi Geiger et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Dinitrogen Release from Arylpentazole: A Picosecond Time-Resolved Infrared, Spectroelectrochemical, and DFT Computational Study

(2013) Peter Portius et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Raman spectrum of dimethylaminophenyl pentazole (DMAPP)

(2012) Uzi Geiger et al.   CHEMICAL PHYSICS LETTERS

Theoretical estimation of the acidities of alcohols and azoles in gas phase, DMSO, and water

(2012) Paul G. Seybold et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Guiding the synthesis of pentazole derivatives and their mono- and di-oxides with quantum modeling

(2012) Gilles Frison et al.   NEW JOURNAL OF CHEMISTRY

Azole-Based Energetic Salts

(2011) Haixiang Gao et al.   CHEMICAL REVIEWS

Multiwfn: A multifunctional wavefunction analyzer

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

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

Synthesis and Promising Properties of a New Family of High-Density Energetic Salts of 5-Nitro-3-trinitromethyl-1H-1,2,4-triazole and 5,5′-Bis(trinitromethyl)-3,3′-azo-1H-1,2,4-triazole

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

Coupled cluster, B2PLYP and M06-2X investigation of the thermochemistry of five-membered nitrogen containing heterocycles, furan, and thiophene

(2011) Pablo A. Denis   THEORETICAL CHEMISTRY ACCOUNTS

Multi-structural variational transition state theory. Kinetics of the 1,4-hydrogen shift isomerization of the pentyl radical with torsional anharmonicity

(2011) Tao Yu et al.   Chemical Science

Energetic Salts Based on Monoanions ofN,N-Bis(1H-tetrazol-5-yl)amine and 5,5′-Bis(tetrazole)

(2010) Yong Guo et al.   CHEMISTRY-A EUROPEAN JOURNAL

Kinetic Stability and Propellant Performance of Green Energetic Materials

(2010) Martin Rahm et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theoretical investigation of 4-amino triazolylpentazole: A breakthrough to nitrogen-rich heterocycles

(2010) Pravat K. Swain   JOURNAL OF MOLECULAR LIQUIDS

Theoretical studies on nitrogen rich energetic azoles

(2010) Vikas Dasharath Ghule et al.   JOURNAL OF MOLECULAR MODELING

How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals

(2010) Luis Simón et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Bistetrazoles: Nitrogen-Rich, High-Performing, Insensitive Energetic Compounds

(2008) Thomas M. Klapötke et al.   CHEMISTRY OF MATERIALS

A Ceric Ammonium Nitrate N-Dearylation ofN-p-Anisylazoles Applied to Pyrazole, Triazole, Tetrazole, and Pentazole Rings:  Release of Parent Azoles. Generation of Unstable Pentazole, HN5/N5-, in Solution

(2008) Richard N. Butler et al.   JOURNAL OF ORGANIC CHEMISTRY

Molecular Complexes of Pentazolo[1,2-a]pentazole, N8

(2008) Ibon Alkorta et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Strain energies of cubane derivatives with different substituent groups

(2007) Xiao-Wei Fan et al.   JOURNAL OF HAZARDOUS MATERIALS