The electronic structures of eight molecules containing a nitrogen-nitrogen bond have been studied using a STO-3 G and a 7s3p basis set. Calculations were performed with the Gaussian-70 program. The nature of the N-N bond has been investigated through the calculations, for all the compounds. It appears that the N-N bond presents a double bond character in the dimers of nitroso compounds and a single one in N /sub 2/O/sub 4/.Francai
Author Institution: United States Army Ballistic Research LaboratoriesAb initio SCF calculations hav...
$^{1}$ P. E. Cade, K. D. Sales and A. C. Wahl, J. Chem. Phys. 44, 1973 (1966).Author Institution: Ca...
$^{1}$ P. E. Cade, K. D. Sales and A. C. Wahl, J. Chem. Phys. 44, 1973 (1966).Author Institution: Ca...
The rapid increase over the last few years in the application of theoretical methods to the study of...
The results of some STO-5G valence bond calculations are presented for a cis ONNO component of each ...
An ab initio calculation is performed for the structures N3 +, N4, and N6 using single-ζ and double-...
Author Institution: La Trobe University BundooraSmall Gaussian basis sets have been used to study th...
Azot, podobnie jak wiele innych pierwiastków chemicznych, posiada zdolność do katenacji. Największą ...
Author Institution: Department of Chemistry, University Montreal“A semi-empirical S.C.F. molecular o...
Author Institution: Department of Chemistry, University Montreal“A semi-empirical S.C.F. molecular o...
We intend to study the characteristics of single, double and triple bonds between nitrogen-nitrogen ...
The structural, vibrational and electronic properties of nitrotyrosine and 8-nitroguanine have been ...
The results of STO-6G valence bond calculations with Lewis-type valence bond structures are reported...
Using various versions of density functional theory (DFT), DFT M06/TZVP, DFT B3PW91/TZVP, DFT OPBE/T...
Author Institution: United States Army Ballistic Research LaboratoriesAb initio SCF calculations hav...
Author Institution: United States Army Ballistic Research LaboratoriesAb initio SCF calculations hav...
$^{1}$ P. E. Cade, K. D. Sales and A. C. Wahl, J. Chem. Phys. 44, 1973 (1966).Author Institution: Ca...
$^{1}$ P. E. Cade, K. D. Sales and A. C. Wahl, J. Chem. Phys. 44, 1973 (1966).Author Institution: Ca...
The rapid increase over the last few years in the application of theoretical methods to the study of...
The results of some STO-5G valence bond calculations are presented for a cis ONNO component of each ...
An ab initio calculation is performed for the structures N3 +, N4, and N6 using single-ζ and double-...
Author Institution: La Trobe University BundooraSmall Gaussian basis sets have been used to study th...
Azot, podobnie jak wiele innych pierwiastków chemicznych, posiada zdolność do katenacji. Największą ...
Author Institution: Department of Chemistry, University Montreal“A semi-empirical S.C.F. molecular o...
Author Institution: Department of Chemistry, University Montreal“A semi-empirical S.C.F. molecular o...
We intend to study the characteristics of single, double and triple bonds between nitrogen-nitrogen ...
The structural, vibrational and electronic properties of nitrotyrosine and 8-nitroguanine have been ...
The results of STO-6G valence bond calculations with Lewis-type valence bond structures are reported...
Using various versions of density functional theory (DFT), DFT M06/TZVP, DFT B3PW91/TZVP, DFT OPBE/T...
Author Institution: United States Army Ballistic Research LaboratoriesAb initio SCF calculations hav...
Author Institution: United States Army Ballistic Research LaboratoriesAb initio SCF calculations hav...
$^{1}$ P. E. Cade, K. D. Sales and A. C. Wahl, J. Chem. Phys. 44, 1973 (1966).Author Institution: Ca...
$^{1}$ P. E. Cade, K. D. Sales and A. C. Wahl, J. Chem. Phys. 44, 1973 (1966).Author Institution: Ca...