A useful utility program for all Gaussian version users: ZEKA

Zeki Kartal; Kamil Kartal

doi:10.59313/jsr-a.1603768

A useful utility program for all Gaussian version users: ZEKA

Abstract

This study focuses on ZEKA, a time-saving utility calculation program for researchers using the Gaussian 03, Gaussian 09 and Gaussian 16 molecular modeling and calculation programs. The magnetic, vibrational, electro-optic, some NLO and NBO properties of the compound whose structure is resolved with the Gaussian program are calculated by taking the necessary data from its .log output file and placing them in the relevant formulas. The ZEKA utility program completes such calculations in a very short time interval of approximately 300-400 milliseconds (ms) for an average-sized molecular structure, depending on the size of its log file. These processes require the researcher to spend a lot of time on this work. In addition, the fact that the calculations are performed by the human factor may cause some unwanted errors. The ZEKA utility program will enable researchers to both make the best use of their limited time and prevent errors caused by human factors.

Keywords

References

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Details

Primary Language

English

Subjects

Atomic and Molecular Physics

Journal Section

Research Article

Authors

Zeki Kartal ^*
0000-0001-9739-0858
Türkiye

Kamil Kartal
0009-0003-2157-1689
Türkiye

Publication Date

June 30, 2025

Submission Date

December 18, 2024

Acceptance Date

April 8, 2025

Published in Issue

Year 2025 Number: 061

DOI

https://doi.org/10.59313/jsr-a.1603768

IZ

https://izlik.org/JA23TX22TC

Cite

RIS / Bibtex

APA

Kartal, Z., & Kartal, K. (2025). A useful utility program for all Gaussian version users: ZEKA. Journal of Scientific Reports-A, 061, 25-33. https://doi.org/10.59313/jsr-a.1603768

AMA

1.Kartal Z, Kartal K. A useful utility program for all Gaussian version users: ZEKA. JSR-A. 2025;(061):25-33. doi:10.59313/jsr-a.1603768

Chicago

Kartal, Zeki, and Kamil Kartal. 2025. “A Useful Utility Program for All Gaussian Version Users: ZEKA”. Journal of Scientific Reports-A, nos. 061: 25-33. https://doi.org/10.59313/jsr-a.1603768.

EndNote

Kartal Z, Kartal K (June 1, 2025) A useful utility program for all Gaussian version users: ZEKA. Journal of Scientific Reports-A 061 25–33.

IEEE

[1]Z. Kartal and K. Kartal, “A useful utility program for all Gaussian version users: ZEKA”, JSR-A, no. 061, pp. 25–33, June 2025, doi: 10.59313/jsr-a.1603768.

ISNAD

Kartal, Zeki - Kartal, Kamil. “A Useful Utility Program for All Gaussian Version Users: ZEKA”. Journal of Scientific Reports-A. 061 (June 1, 2025): 25-33. https://doi.org/10.59313/jsr-a.1603768.

JAMA

1.Kartal Z, Kartal K. A useful utility program for all Gaussian version users: ZEKA. JSR-A. 2025;:25–33.

MLA

Kartal, Zeki, and Kamil Kartal. “A Useful Utility Program for All Gaussian Version Users: ZEKA”. Journal of Scientific Reports-A, no. 061, June 2025, pp. 25-33, doi:10.59313/jsr-a.1603768.

Vancouver

1.Zeki Kartal, Kamil Kartal. A useful utility program for all Gaussian version users: ZEKA. JSR-A. 2025 Jun. 1;(061):25-33. doi:10.59313/jsr-a.1603768