Search

7 results in Keywords: hyperpolarizability

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

676

Downloads

Citations

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

7,520

Downloads

Citations

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

180

Downloads

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

266

Downloads

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

255

Downloads

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

137

Downloads

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

118

Downloads

Search

Refine Search

7 results in hyperpolarizability in Keywords: hyperpolarizability

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

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

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

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

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

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

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

7 results in Keywords: hyperpolarizability