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Potential energy surface
An Improved Potential Energy Surface for the H2cl System and Its Use for Calculations of Rate Coefficients and Kinetic Isotope Effects Thomas C
8 Finding Transition States and Barrier Heights: First Order Saddle Points
Use of Potential Energy Surfaces (PES) in Spectroscopy and Reaction Dynamics
( Pess ). Identify the Saddle Point, the Reactant and Produ
Accurate Potential Energy Surfaces and Beyond: Chemical Reactivity, Binding, Long-Range Interactions, and Spectroscopy
Theoretical Studies of Ground and Excited State Reactivity
The Potential Energy Surface
Density Functional Theory-A Practical Introduction411565.Pdf
Chapter 1 Introduction
Implementation of Harmonic Quantum Transition State Theory for Multidimensional Systems
Molecular Dynamics Simulations on Relaxed Reduced-Dimensional Potential Energy Surfaces † ‡ † Chang Liu, C
Exploring Potential Energy Surfaces for Chemical Reactions: an Overview of Some Practical Methods
UC Merced Electronic Theses and Dissertations
Potential Energy Surfaces Governing Chemical Reactions Involving Carbon, Oxygen and Hydrogen Sotiris S
The Diabatic Picture of Electron Transfer, Reaction Barriers and Molecular Dynamics
A Dual-Level Approach to Instanton Theory Arxiv:2009.04309V1
Chemisorption
Dynamical Insights Into the Decomposition of 1,2-Dioxetane
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