Search

Physical Chemistry

Working Paper

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

7,350

Downloads

7

Citations

Theoretical and Computational Chemistry

Working Paper

Graphical understanding of electron delocalization and aromatic characteristic of unusual cyclo[18]carbon precursor, C18Br6

Xia Wang, Zeyu Liu, Jiaojiao Wang, Tian Lu, Weiwei Xiong, Xiufen Yan, Mengdi Zhao

Version 1 posted 28 November 2022

429

Downloads

2

Citations

Physical Chemistry

Review

An overview of physical and chemical long-range phenomena governed by Friedel oscillations: a~bridge between physics and chemistry

Alexandra Siklitskaya, Tomasz Bednarek, James Pogrebetsky, Adam Kubas

Version 1 posted 04 September 2024

133

Downloads

Organic Chemistry

Working Paper

Three-Dimensional Fully pi-Conjugated Macrocycles: When 3D-Aromatic and when 2D-Aromatic-in-3D?

Ouissam El Bakouri, Dariusz Szczepanik, Kjell Jorner, Rabia Ayub, Patrick Bultinck, Miquel Solà, Henrik Ottosson

Version 3 posted 28 March 2022

1,093

Downloads

Physical Chemistry

Working Paper

Femtosecond X-ray Spectroscopy Directly Quantifies Transient Excited State Mixed Valency and Subsequent Vibronic Dynamics

Chelsea Liekhus-Schmaltz, Zachary Fox, Amity Andersen, Kasper Kjaer, Roberto Alonso-Mori, Elisa Biasin, Julia Carlstad, Matthieu Chollet, James Gaynor, James Glownia, Kiryong Hong, Thomas Kroll, Jae Hyuk Lee, Benjamin Poulter, Marco Reinhard, Dimosthenis Sokaras, Yu Zhang, Gilles Doumy, Anne-Marie March, Stephen Southworth, Shaul Mukamel, Amy Cordones-Hahn, Robert Schoenlein, Niranjan Govind, Munira Khalil

Version 1 posted 16 July 2021

464

Downloads

Theoretical and Computational Chemistry

Working Paper

Bonding character, electron delocalization, and aromaticity of cyclo[18]carbon (C18) precursors, C18-(CO)n (n = 6, 4, and 2): Focusing on the effect of -CO groups

Xia Wang, Zeyu Liu, Xiufen Yan, Tian Lu, Weiwei Xiong

Version 2 posted 10 August 2021

857

Downloads

Physical Chemistry

Working Paper

Revitalizing the Concept of Bond Order Through Delocalization Measures in Real Space

Carlos Outeiral, Mark Vincent, Ángel Martín Pendás, Paul L. A. Popelier

Version 1 posted 22 March 2018

836

Downloads

Catalysis

Working Paper

Extended Conjugation Refining Carbon Nitride for Non-sacrificial H2O2 Photosynthesis and Hypoxic Tumor Therapy

Jin Ma, Xiaoxiao Peng, Zhixin Zhou, Hong Yang, Kaiqing Wu, Zhengzou Fang, Dan Han, Yanfeng Fang, Songqin Liu, Yanfei Shen, Yuanjian Zhang

Version 2 posted 25 July 2022

816

Downloads

Theoretical and Computational Chemistry

Working Paper

Aromaticity in isoelectronic analogues of benzene, carborazine and borazine: Perspective from electronic structure and magnetic property

Yang Wu, Xinye Liu, Xiufen Yan, Zeyu Liu, Tian Lu, Jingbo Xu, Jiaojiao Wang

Version 2 posted 12 March 2024

322

Downloads

Physical Chemistry

Working Paper

Simple and effective descriptor for measuring the nonlinear optical responses of atomic clusters

Quanjie Zhong

Version 1 posted 26 July 2024

96

Downloads

Refine Search

11 results in Electron Delocalization in Keywords: Electron Delocalization

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

Graphical understanding of electron delocalization and aromatic characteristic of unusual cyclo[18]carbon precursor, C18Br6

An overview of physical and chemical long-range phenomena governed by Friedel oscillations: a~bridge between physics and chemistry

Three-Dimensional Fully pi-Conjugated Macrocycles: When 3D-Aromatic and when 2D-Aromatic-in-3D?

Femtosecond X-ray Spectroscopy Directly Quantifies Transient Excited State Mixed Valency and Subsequent Vibronic Dynamics

Bonding character, electron delocalization, and aromaticity of cyclo[18]carbon (C18) precursors, C18-(CO)n (n = 6, 4, and 2): Focusing on the effect of -CO groups

Revitalizing the Concept of Bond Order Through Delocalization Measures in Real Space

Extended Conjugation Refining Carbon Nitride for Non-sacrificial H2O2 Photosynthesis and Hypoxic Tumor Therapy

Aromaticity in isoelectronic analogues of benzene, carborazine and borazine: Perspective from electronic structure and magnetic property

Simple and effective descriptor for measuring the nonlinear optical responses of atomic clusters

11 results in Keywords: Electron Delocalization