DFT STUDY OF THE ROTATION BARRIER, ELECTRONIC STRUCTURE, INTRAMOLECULAR HYDROGEN BOND, TOPOLOGICAL PARAMETERS AND AROMATICITY INDICES IN (Z) - (NITROSOMETHYLENE) HYDRAZINE

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RAISSI HEIDAR; Khoshbin Seyyedeh Zahra

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Seminar Paper

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Seminar: IRANIAN PHYSICAL CHEMISTRY CONFERENCE
Year:2013 | Issue:16

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Title

DFT STUDY OF THE ROTATION BARRIER, ELECTRONIC STRUCTURE, INTRAMOLECULAR HYDROGEN BOND, TOPOLOGICAL PARAMETERS AND AROMATICITY INDICES IN (Z) - (NITROSOMETHYLENE) HYDRAZINE

Author(s)

RAISSI HEIDAR | Khoshbin Seyyedeh Zahra | Issue Writer Certificate

Keywords

(Z) - (NITROSOMETHYLENE) HYDRAZINE

AIM

HOMA

NICS

Abstract

THE HYDROGEN BOND (HB) OF (Z) - (NITROSOMETHYLENE) HYDRAZINE AND SOME OF ITS DERIVATIVES HAVE BEEN STUDIED AT THE B3LYP/6-31G** LEVEL OF THEORY. BESIDES, THE ROTATIONAL BARRIERS (EBR) AROUND N–N BOND IN THE STUDIED SYSTEMS ARE EXAMINED. ALSO, THE AROMATICITY OF THE FORMED RING IS MEASURED THROUGH THE HARMONIC OSCILLATOR MODEL OF AROMATICITY (HOMA) [1] AND THE MAGNETIC BASED NUCLEUS INDEPENDENT CHEMICAL SHIFT (NICS) [2] MEASUREMENTS.

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APA: Copy

RAISSI, HEIDAR, & Khoshbin, Seyyedeh Zahra. (2013). DFT STUDY OF THE ROTATION BARRIER, ELECTRONIC STRUCTURE, INTRAMOLECULAR HYDROGEN BOND, TOPOLOGICAL PARAMETERS AND AROMATICITY INDICES IN (Z) - (NITROSOMETHYLENE) HYDRAZINE. IRANIAN PHYSICAL CHEMISTRY CONFERENCE. SID. https://sid.ir/paper/916117/en

Vancouver: Copy

RAISSI HEIDAR, Khoshbin Seyyedeh Zahra. DFT STUDY OF THE ROTATION BARRIER, ELECTRONIC STRUCTURE, INTRAMOLECULAR HYDROGEN BOND, TOPOLOGICAL PARAMETERS AND AROMATICITY INDICES IN (Z) - (NITROSOMETHYLENE) HYDRAZINE. 2013. Available from: https://sid.ir/paper/916117/en

IEEE: Copy

HEIDAR RAISSI, and Seyyedeh Zahra Khoshbin, “DFT STUDY OF THE ROTATION BARRIER, ELECTRONIC STRUCTURE, INTRAMOLECULAR HYDROGEN BOND, TOPOLOGICAL PARAMETERS AND AROMATICITY INDICES IN (Z) - (NITROSOMETHYLENE) HYDRAZINE,” presented at the IRANIAN PHYSICAL CHEMISTRY CONFERENCE. 2013, [Online]. Available: https://sid.ir/paper/916117/en

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