Potential Energy Surface

Atom–bond pairwise additive representation for intermolecular potential energy surfaces

Thermodynamics / Technology / Kinetics / Quantum Theory / Chemical Physics / Complex System / Computer Simulation / Physical sciences / Methane / The / CHEMICAL SCIENCES / Hydrogen Bonding / Validation Studies / Binding Energy / Halogens / Reproducibility of Results / Benzene / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Conformation / Potential Energy Surface / Cations / Ab Initio Calculation / Force Field Analysis / Molecular Dynamic Simulation / Molecular Interactions / Perturbation Theory / Molecular Structure / Complex System / Computer Simulation / Physical sciences / Methane / The / CHEMICAL SCIENCES / Hydrogen Bonding / Validation Studies / Binding Energy / Halogens / Reproducibility of Results / Benzene / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Molecular Conformation / Potential Energy Surface / Cations / Ab Initio Calculation / Force Field Analysis / Molecular Dynamic Simulation / Molecular Interactions / Perturbation Theory / Molecular Structure

A random-sampling high dimensional model representation neural network for building potential energy surfaces

Engineering / Algorithms / Fuzzy Logic / Kinetics / Chemical Physics / Neural Network / Artificial Intelligent / Physical sciences / The / High Dimensional Model Representation / CHEMICAL SCIENCES / Electrons / Theoretical Models / Quantum Dynamics / Random sampling / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Trichloroethylene / Potential Energy Surface / Neural Network / Artificial Intelligent / Physical sciences / The / High Dimensional Model Representation / CHEMICAL SCIENCES / Electrons / Theoretical Models / Quantum Dynamics / Random sampling / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Trichloroethylene / Potential Energy Surface

Relaxed potential energy surfaces of maltose

Biological Sciences / Biopolymers / CHEMICAL SCIENCES / Potential Energy Surface

Relaxed potential energy surfaces of maltose

Biological Sciences / Biopolymers / CHEMICAL SCIENCES / Potential Energy Surface

Quantum chemical potential energy surfaces for HXeCl

Engineering / Chemical Physics / Fundamental Frequency / Physical sciences / Van Der Waals / CHEMICAL SCIENCES / Linear System / Degeneration / Potential Energy Surface / Potential Energy / CHEMICAL SCIENCES / Linear System / Degeneration / Potential Energy Surface / Potential Energy

Relaxed potential energy surfaces of maltose

Biological Sciences / Biopolymers / CHEMICAL SCIENCES / Potential Energy Surface

Water line lists close to experimental accuracy using a spectroscopically determined potential energy surface for H[sub 2][sup 16]O, H[sub 2][sup 17]O, and H[sub 2][sup 18]O

Engineering / Chemical Physics / Standard Deviation / Physical sciences / Magnetic Susceptibility / CHEMICAL SCIENCES / Potential Energy Surface / Ab Initio Calculation / Energy Levels / Modeling and Analysis / CHEMICAL SCIENCES / Potential Energy Surface / Ab Initio Calculation / Energy Levels / Modeling and Analysis

Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study

Molecular Spectroscopy / Molecular / Case Study / Potential Energy Surface / Experimental Data

Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes

Physical sciences / The / CHEMICAL SCIENCES / Potential Energy Surface

Ab-Initio-Based Potential Energy Surfaces for Complex Molecules and Molecular Complexes

Physical sciences / The / CHEMICAL SCIENCES / Potential Energy Surface

Empirical potential energy surface for Ar⋅SH/D and Kr⋅SH/D

Engineering / Chemical Physics / Physical sciences / Laser Induced Fluorescence / Van Der Waals / CHEMICAL SCIENCES / Potential Energy Surface / Energy Levels / Potential Energy / Functional Form / CHEMICAL SCIENCES / Potential Energy Surface / Energy Levels / Potential Energy / Functional Form

Empirical potential energy surface for Ar·SH/D and Kr·SH/D

Engineering / Chemical Physics / Physical sciences / Laser Induced Fluorescence / Van Der Waals / CHEMICAL SCIENCES / Potential Energy Surface / Energy Levels / Potential Energy / Functional Form / CHEMICAL SCIENCES / Potential Energy Surface / Energy Levels / Potential Energy / Functional Form

From Topographies to Dynamics on Multidimensional Potential Energy Surfaces of Atomic Clusters

Science / Multidisciplinary / Potential Energy Surface

Few-cycle laser pulses to obtain spatial separation of OHF[sup −] dissociation products

Engineering / Lasers / Hydrofluoric acid / VIBRATION ANALYSIS / Physical sciences / CHEMICAL SCIENCES / Infrared / Theoretical Models / Oxygen / Potential Energy Surface / CHEMICAL SCIENCES / Infrared / Theoretical Models / Oxygen / Potential Energy Surface

New inversion coordinate for ammonia: Application to a CCSD(T) bidimensional potential energy surface

Engineering / Coupled Cluster Theory / Chemical Physics / Physical sciences / Oscillations / Eigenvalues / CHEMICAL SCIENCES / Quantum Harmonic Oscillator / Isotope effect / Potential Energy Surface / Ab Initio Calculation / Eigenvalues / CHEMICAL SCIENCES / Quantum Harmonic Oscillator / Isotope effect / Potential Energy Surface / Ab Initio Calculation

Basis set superposition error-counterpoise corrected potential energy surfaces. Application to hydrogen peroxide⋯X (X=F[sup −], Cl[sup −], Br[sup −], Li[sup +], Na[sup +]) complexes

Engineering / Chemical Physics / Physical sciences / The / Hydrogen Bond / CHEMICAL SCIENCES / Hydrogen Peroxide / Potential Energy Surface / Molecular Interactions / Perturbation Theory / CHEMICAL SCIENCES / Hydrogen Peroxide / Potential Energy Surface / Molecular Interactions / Perturbation Theory

Copyright © 2017 DATOSPDF Inc.