Screening benzylpentazoles for replacing PhN5 as cyclo-N5 − precursor by theoretical calculation

Synthesis and characterization of the pentazolate anioncyclo-N5ˉ in (N5)6(H3O)3(NH4)4Cl

(2017) Chong Zhang et al.   SCIENCE

Structure, stability and intramolecular interaction of M(N5)2 (M = Mg, Ca, Sr and Ba) : a theoretical study

(2015) Xueli Zhang et al.   RSC Advances

Pyridylpentazole and its derivatives: a new source of N5−?

(2015) Xueli Zhang et al.   RSC Advances

Structure and bonding of novel paddle-wheel diiridium polynitrogen compounds: A stronger iridium–iridium bonding by density functional theory

(2014) Lihong Tang et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Theoretical studies on stability and pyrolysis mechanism of salts formed by N5 − and metallic cations Na+, Fe2+ and Ni2+

(2014) Xueli Zhang et al.   STRUCTURAL CHEMISTRY

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

(2014) Xueli Zhang et al.   RSC Advances

KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results†

(2013) Sébastien Canneaux et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

ATOMIC DIPOLE MOMENT CORRECTED HIRSHFELD POPULATION METHOD

(2012) TIAN LU et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

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

Computational studies on tetrazole derivatives as potential high energy materials

(2011) Vikas D. Ghule et al.   STRUCTURAL CHEMISTRY

Stability of Polynitrogen Compounds: The Importance of Separating the σ and π Electron Systems†

(2009) Moran Noyman et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

The Structure of Alkali Metal Derivatives of Azoles: N−σ versus π Structures

(2008) Fernando Blanco 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