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Physical Chemistry

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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

6,926

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6

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Physical Chemistry

Working Paper

Liquid Water : When Hyperpolarizability Fluctuations Boost and Reshape the Second Harmonic Scattering Intensities

Guillaume Le Breton, Oriane Bonhomme, Emmanuel Benichou, Claire Loison

Version 1 posted 13 February 2023

95

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Physical Chemistry

Working Paper

Hyperpolarizability of Water at the Air-Vapor Interface: Numerical Modeling Questions Standard Experimental Approximations

Guillaume Le Breton, Oriane Bonhomme, Pierre-François Brevet, Emmanuel Benichou, Claire Loison

Version 1 posted 16 March 2021

296

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1

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Physical Chemistry

Working Paper

Revealing Silica's pH-Dependent Second Harmonic Generation Response with Overcharging

Shyam Parshotam, Wentong Zhang, Benjamin Rehl, Akemi Darlington, Md. Delwar H. Sikder, Alex Brown, Julianne M. Gibbs

Version 1 posted 16 February 2023

134

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Physical Chemistry

Working Paper

Influence of the Excitation Wavelength on First Order Hyperpolarizabilities and Optimal Gap Tuning of Range Separated Hybrid Functionals

Shyam Parshotam, Julianne M. Gibbs, Alex Brown

Version 1 posted 23 December 2022

99

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Theoretical and Computational Chemistry

Working Paper

First hyperpolarizability of water in the bulk phase: long-range electrostatic effects included via the second hyperpolarizability

Guillaume Le Breton, Oriane Bonhomme, Emmanuel Benichou, Claire Loison

Version 1 posted 16 February 2022

231

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Physical Chemistry

Working Paper

Rational Design and Investigation of Nonlinear Optical Response Properties of Pyrrolopyrrole Aza-BODIPY-Based Novel Push-Pull Chromophores

Naga Pranava Sree Kothoori, Pandiyan Sivasakthi, Mallesham Baithy, Ramprasad Misra, Pralok Samanta

Version 1 posted 19 February 2024

172

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7 results in Hyperpolarizability in Keywords: Hyperpolarizability

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

Liquid Water : When Hyperpolarizability Fluctuations Boost and Reshape the Second Harmonic Scattering Intensities

Hyperpolarizability of Water at the Air-Vapor Interface: Numerical Modeling Questions Standard Experimental Approximations

Revealing Silica's pH-Dependent Second Harmonic Generation Response with Overcharging

Influence of the Excitation Wavelength on First Order Hyperpolarizabilities and Optimal Gap Tuning of Range Separated Hybrid Functionals

First hyperpolarizability of water in the bulk phase: long-range electrostatic effects included via the second hyperpolarizability

Rational Design and Investigation of Nonlinear Optical Response Properties of Pyrrolopyrrole Aza-BODIPY-Based Novel Push-Pull Chromophores

7 results in Keywords: Hyperpolarizability