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Atomic Charge Reveals Global Electron Redistribution in Substituted Benzene: A Semiempirical Quantum Study Annisha Noor Dienna; Maula Nabila Alika Fitri; Novalia Nurbaiti; Prisca Caesa Moneteringtyas; Keysia Claudia Sagala
TECHNO: JURNAL PENELITIAN Vol 15 No 1 (2026): TECHNO JURNAL PENELITIAN
Publisher : Universitas Khairun

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Abstract

This study investigates the electronic influence of electron-donating substituents on the C₀ of substituted benzene systems using a computational chemistry approach. Aromatic systems exhibit complex electron density redistribution governed by π-electron delocalization, where substituent effects propagate across the entire ring rather than remaining localized. To systematically evaluate this behavior, eleven benzene derivatives representing alkyl, amino, and oxygen-containing substituents were modeled and analyzed using the semiempirical AM1 method implemented in ORCA. Atomic charge variations at the C₀ position were calculated relative to benzene and examined using both Mulliken and Löwdin population analyses to ensure methodological consistency. The results reveal that electron-donating groups do not necessarily increase electron density locally at the C₀; instead, the donated electron density is redistributed throughout the aromatic π-system. Alkyl substituents show minimal charge variation, indicating weak inductive effects, while amino groups exhibit moderate influence through resonance interactions without significant localization at C₀. Oxygen-containing substituents, particularly phenol and alkoxy derivatives, demonstrate stronger electronic perturbations due to effective lone-pair resonance donation. Notably, ethoxybenzene displays anomalous behavior, suggesting a combined influence of resonance and additional inductive contributions from its alkyl chain. Despite differences in absolute values, both population analysis methods produce consistent trends, supporting the robustness of the findings. Overall, this study highlights that ΔC₀ serves as an indicator of global electron redistribution rather than localized charge accumulation, providing a more physically meaningful interpretation of substituent effects in aromatic systems
Developing the SMART-RISK System to Enhance Internal Oversight Governance in Higher Education Harris Pinagaran Nasution; Ferry Fachrizal; Isni Khairina; Prisca Caesa Moneteringtyas
International Journal of Multidisciplinary Sciences and Arts Vol. 5 No. 1 (2026): International Journal of Multidisciplinary Sciences and Arts, Article January 2
Publisher : Information Technology and Science (ITScience)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47709/ijmdsa.v5i1.7756

Abstract

Risk management has become a strategic component of public sector governance, including higher education institutions, to support accountability and effective internal oversight. Nevertheless, many Indonesian higher education institutions still rely on manual and fragmented risk management practices, leading to inconsistent documentation, limited monitoring, and weak risk-based decision making. This study aims to design and develop a web-based integrated risk management information system, namely SMART-RISK, to enhance the effectiveness of internal oversight at Politeknik Negeri Medan. The research employed a Research and Development (R&D) approach using the 4D model, which consists of define, design, development, and dissemination stages. Data were collected through a literature review and user perception questionnaires involving 18 institutional work units and analyzed descriptively. The results show that SMART-RISK successfully integrates core risk management processes, including risk identification, assessment, prioritization, monitoring, and reporting within a centralized web-based platform. The system is equipped with a risk dashboard and role-based access control to support data security, accountability, and ease of use. Initial user evaluations indicate positive acceptance of the system’s functionality and interface, suggesting that the system is suitable for institutional risk governance. This study concludes that SMART-RISK has strong potential as a digital solution to support risk-based internal oversight in vocational higher education. Further research is required to implement the system in full operational settings and to empirically assess its impact on risk management maturity and institutional performance.