The results of a theoretical study on the formation of the nitrogen cluster N10 from the ionic species N[+/5] and N[-/5] are presented. The possibility to form N8 from N[+/5] and N[-/3] has also been studied but no stable form was found. Structural and vibrational data are given for the different clusters. It is suggested that the anion N[-/5] might be stable enough to be synthesized. The calculations have been carried out using multiconfigurational self-consistent-field wave functions and second-order perturbation theory
ABSTRACT Hydrogen bonded neutral clusters of ammonia, (NH3)n (n = 2-6), have been theoretically inve...
First principles calculations based on the nonlocal density approximation to the density functional ...
Minimum energy geometries, harmonic vibrational frequencies, and stepwise binding energies have been...
The stable structures of odd-numbered anionic nitrogen clusters, N2n+3–, have been theoretically inv...
The mass spectra of cluster ions (NH3)(n)H-2(+) with n<4 were measured for the first time using a MP...
The structures and stability of nitrogen cluster N10 were studied using DFT and MP2 methods. Eleven ...
Possible structures of the carbon-nitrogen clusters of the form CmNn (m ) 1-4, n ) 1-4, m + n ) 2-5)...
International audiencePossible structures of the carbon-nitrogen clusters of the form C(m)N(n) (m = ...
Proton transfer in ammonia\u2013nitric acid clusters containing up to four component units are subje...
PBE1PBE density functional theory (DFT) methods have been used to calculate ¢H ° and ¢G ° values for...
The G2, G3, CBS-QB3, and CBS-APNO model chemistry methods and the B3LYP, B3P86, mPWJPW, and PBE1PBE ...
Mixed nitrogen-lithium cluster cations LiNn+ were generated by laser vaporization and analyzed by ti...
ABSTRACT Hydrogen bonded neutral clusters of ammonia, (NH3)n (n = 2-6), have been theoretically inve...
The G2, G3, CBS-QB3, and CBS-APNO model chemistry methods and the B3LYP, B3P86, mPW1PW, and PBE1PBE ...
In this work, a reaction mechanism of formation of noble gas (Ng) cluster ions has been theoreticall...
ABSTRACT Hydrogen bonded neutral clusters of ammonia, (NH3)n (n = 2-6), have been theoretically inve...
First principles calculations based on the nonlocal density approximation to the density functional ...
Minimum energy geometries, harmonic vibrational frequencies, and stepwise binding energies have been...
The stable structures of odd-numbered anionic nitrogen clusters, N2n+3–, have been theoretically inv...
The mass spectra of cluster ions (NH3)(n)H-2(+) with n<4 were measured for the first time using a MP...
The structures and stability of nitrogen cluster N10 were studied using DFT and MP2 methods. Eleven ...
Possible structures of the carbon-nitrogen clusters of the form CmNn (m ) 1-4, n ) 1-4, m + n ) 2-5)...
International audiencePossible structures of the carbon-nitrogen clusters of the form C(m)N(n) (m = ...
Proton transfer in ammonia\u2013nitric acid clusters containing up to four component units are subje...
PBE1PBE density functional theory (DFT) methods have been used to calculate ¢H ° and ¢G ° values for...
The G2, G3, CBS-QB3, and CBS-APNO model chemistry methods and the B3LYP, B3P86, mPWJPW, and PBE1PBE ...
Mixed nitrogen-lithium cluster cations LiNn+ were generated by laser vaporization and analyzed by ti...
ABSTRACT Hydrogen bonded neutral clusters of ammonia, (NH3)n (n = 2-6), have been theoretically inve...
The G2, G3, CBS-QB3, and CBS-APNO model chemistry methods and the B3LYP, B3P86, mPW1PW, and PBE1PBE ...
In this work, a reaction mechanism of formation of noble gas (Ng) cluster ions has been theoreticall...
ABSTRACT Hydrogen bonded neutral clusters of ammonia, (NH3)n (n = 2-6), have been theoretically inve...
First principles calculations based on the nonlocal density approximation to the density functional ...
Minimum energy geometries, harmonic vibrational frequencies, and stepwise binding energies have been...