The data on the existence and physicochemical characteristics of uncharged single element chemical compounds formed by nitrogen atoms and containing more than two nuclides of this element (from N4 to N120, oligomeric and polymeric polynitrogens) have been systematized and generalized. It has been noticed that these data have a predominantly predictive character and were obtained mainly using quantum chemical calculations of various levels (HF, DFT, MP, CCSD etc.). The possibility of the practical application of these single element compounds has been considered. The review mainly covers articles published in the last 25 years. The bibliography contains 128 references
The quest for solid-state materials with tailored chemical and physical features stimulates the sear...
An overview is given on molecular defined materials for conventional electronics and on potential ma...
The electronic structures of eight molecules containing a nitrogen-nitrogen bond have been studied u...
Polynitrogen compounds, comprising only nitrogen atoms, are rare. They are considered as promising c...
Polynitrogen compounds, comprising only nitrogen atoms, are rare. They are considered as promising ...
The review of polynitro heterocyclic compounds was written. These are substances with ability to det...
Quantum chemical calculations provide new insights into the dependence of J(N,N) coupling tensors on...
Abstract. Computational quantum chemistry helps us to determine, calculate, and study new concepts, ...
Department of Chemistry and Centre for Theoretical Studies, Indian Institute of Technology, Kharagpu...
Using various versions of density functional theory (DFT), DFT M06/TZVP, DFT B3PW91/TZVP, DFT OPBE/T...
We present density functional theory level predictions and analysis of the basic properties of newly...
All-nitrogen materials, as a unique branch of energetic materials, have gained huge attentions, of w...
We present an ab initio quantum-mechanical study, based on Car-Parrinello molecular dynamics, of ele...
We present an ab initio quantum-mechanical study, based on Car-Parrinello molecular dynamics, of ele...
The quest for solid-state materials with tailored chemical and physical features stimulates the sear...
The quest for solid-state materials with tailored chemical and physical features stimulates the sear...
An overview is given on molecular defined materials for conventional electronics and on potential ma...
The electronic structures of eight molecules containing a nitrogen-nitrogen bond have been studied u...
Polynitrogen compounds, comprising only nitrogen atoms, are rare. They are considered as promising c...
Polynitrogen compounds, comprising only nitrogen atoms, are rare. They are considered as promising ...
The review of polynitro heterocyclic compounds was written. These are substances with ability to det...
Quantum chemical calculations provide new insights into the dependence of J(N,N) coupling tensors on...
Abstract. Computational quantum chemistry helps us to determine, calculate, and study new concepts, ...
Department of Chemistry and Centre for Theoretical Studies, Indian Institute of Technology, Kharagpu...
Using various versions of density functional theory (DFT), DFT M06/TZVP, DFT B3PW91/TZVP, DFT OPBE/T...
We present density functional theory level predictions and analysis of the basic properties of newly...
All-nitrogen materials, as a unique branch of energetic materials, have gained huge attentions, of w...
We present an ab initio quantum-mechanical study, based on Car-Parrinello molecular dynamics, of ele...
We present an ab initio quantum-mechanical study, based on Car-Parrinello molecular dynamics, of ele...
The quest for solid-state materials with tailored chemical and physical features stimulates the sear...
The quest for solid-state materials with tailored chemical and physical features stimulates the sear...
An overview is given on molecular defined materials for conventional electronics and on potential ma...
The electronic structures of eight molecules containing a nitrogen-nitrogen bond have been studied u...