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Inorganic Chemistry

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Physical Chemistry

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IR spectrum

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3 results in Keywords: IR spectrum

Physical Chemistry

Complexes of HNgY with HX (Y, X = F, Cl, Br, I): Symmetry-Adapted Perturbation-Theory Study and Anharmonic Vibrational Analysis

Bartosz Dzięcioł, Irina Osadchuk, Janusz Cukras, Jan Lundell

Version 1 posted 20 December 2022

162

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Physical Chemistry

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

Tian Lu, Qinxue Chen, Zeyu Liu

Version 2 posted 23 December 2019

7,839

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10

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Physical Chemistry

Incorporating Polarization and Charge Transfer into a Point Charge Model for Water using Machine Learning

Bowen Han, Christine M. Isborn, Liang Shi

Version 1 posted 29 December 2022

273

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