Home / Publications / Refinement of the Townes-Dailey Theory. MNDO Calculation of 35CI NQR Frequencies

Refinement of the Townes-Dailey Theory. MNDO Calculation of 35CI NQR Frequencies

Petr Alekseevich Nikitin 1
Petr Alekseevich Nikitin
Igor Michailovich Lazarev 1
Igor Michailovich Lazarev
Gennadii Vasil'evich Dolgushin 1
Gennadii Vasil'evich Dolgushin
Published 1995-02-28
CommunicationVolume 5, Issue 1, 13-14
3
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Nikitin P. A., Lazarev I. M., Dolgushin G. V. Refinement of the Townes-Dailey Theory. MNDO Calculation of 35CI NQR Frequencies // Mendeleev Communications. 1995. Vol. 5. No. 1. pp. 13-14.
GOST all authors (up to 50) Copy
Nikitin P. A., Lazarev I. M., Dolgushin G. V. Refinement of the Townes-Dailey Theory. MNDO Calculation of 35CI NQR Frequencies // Mendeleev Communications. 1995. Vol. 5. No. 1. pp. 13-14.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1070/MC1995v005n01ABEH000437
UR - https://mendcomm.colab.ws/publications/10.1070/MC1995v005n01ABEH000437
TI - Refinement of the Townes-Dailey Theory. MNDO Calculation of 35CI NQR Frequencies
T2 - Mendeleev Communications
AU - Nikitin, Petr Alekseevich
AU - Lazarev, Igor Michailovich
AU - Dolgushin, Gennadii Vasil'evich
PY - 1995
DA - 1995/02/28
PB - Mendeleev Communications
SP - 13-14
IS - 1
VL - 5
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{1995_Nikitin,
author = {Petr Alekseevich Nikitin and Igor Michailovich Lazarev and Gennadii Vasil'evich Dolgushin},
title = {Refinement of the Townes-Dailey Theory. MNDO Calculation of 35CI NQR Frequencies},
journal = {Mendeleev Communications},
year = {1995},
volume = {5},
publisher = {Mendeleev Communications},
month = {Feb},
url = {https://mendcomm.colab.ws/publications/10.1070/MC1995v005n01ABEH000437},
number = {1},
pages = {13--14},
doi = {10.1070/MC1995v005n01ABEH000437}
}
MLA
Cite this
MLA Copy
Nikitin, Petr Alekseevich, et al. “Refinement of the Townes-Dailey Theory. MNDO Calculation of 35CI NQR Frequencies.” Mendeleev Communications, vol. 5, no. 1, Feb. 1995, pp. 13-14. https://mendcomm.colab.ws/publications/10.1070/MC1995v005n01ABEH000437.

Abstract

Within the framework of the Townes–Dailey theory some corrections have been suggested which make it possible to take account of the effect of differences in the p-electron energy on the electric field gradients and to improve the correlation between the experimental and theoretical NQR frequencies.

References

2.
10.1070/MC1995v005n01ABEH000437_bib2
Lucken
Nuclear Quadrupole Coupling Constants, 1969
3.
10.1070/MC1995v005n01ABEH000437_bib3
Semin
Primenenie yadernogo kvadrupol’nogo rezonansa v khimii, 1972
4.
10.1070/MC1995v005n01ABEH000437_bib4
Zhidomirov
Zh. Strukt. Khim., 1964
5.
Theory of Carbon NMR Chemical Shifts in Conjugated Molecules
Karplus M., Pople J.A.
Journal of Chemical Physics, 1963
6.
Ground states of molecules. 38. The MNDO method. Approximations and parameters
Dewar M.J., Thiel W.
Journal of the American Chemical Society, 1977
7.
10.1070/MC1995v005n01ABEH000437_bib7
Minkin
Teoriya stroeniya molekul, 1979