Related references
Note: Only part of the references are listed.ManyHF: A pragmatic automated method of finding lower-energy Hartree-Fock solutions for potential energy surface development
Tibor Gyori et al.
JOURNAL OF CHEMICAL PHYSICS (2022)
Investigation of Product Formation in the O(1D, 3P) + N2O Reactions: Comparison of Experimental and Theoretical Kinetics
Tien V. Pham et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2022)
Permutation-Invariant-Polynomial Neural-Network-Based Δ-Machine Learning Approach: A Case for the HO2 Self-Reaction and Its Dynamics Study
Yang Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)
Permutation-Invariant-Polynomial Neural-Network-Based Delta-Machine Learning Approach: A Case for the HO2 Self-Reaction and Its Dynamics Study
Yang Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)
Collision cross sections and nonequilibrium viscosity coefficients of N2 and O2 based on molecular dynamics
Tapan K. Mankodi et al.
PHYSICS OF FLUIDS (2020)
The Molpro quantum chemistry package
Hans-Joachim Werner et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Many-Body Permutationally Invariant Polynomial Neural Network Potential Energy Surface for N4
Jun Li et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Collisional O2 + N2 State-Selected Cross Sections for Open Science Cloud Reuse
E. Garcia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
High-Fidelity Potential Energy Surfaces for Gas-Phase and Gas- Surface Scattering Processes from Machine Learning
Bin Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Anomalous kinetics of the reaction between OH and HO2 on an accurate triplet state potential energy surface
Yang Liu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Collision induced dissociation cross-section for high energy N2-O2 collisions
Tapan K. Mankodi et al.
CHEMICAL PHYSICS LETTERS (2018)
Vibrational energy transfer and dissociation in O2-N2 collisions at hyperthermal temperatures
Daniil A. Andrienko et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
The role of the long-range tail of the potential in O2 + N2 collisional inelastic vibrational energy transfers
Ernesto Garcia et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Efficiency of Collisional O2 + N2 Vibrational Energy Exchange
E. Garcia et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Potential energy surfaces from high fidelity fitting of ab initio points: the permutation invariant polynomial - neural network approach
Bin Jiang et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2016)
Potential energy surface of triplet N2O2
Zoltan Varga et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Full-dimensional global potential energy surfaces describing abstraction and exchange for the H + H2S reaction
Dandan Lu et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Enhanced Flexibility of the O2 + N2 Interaction and Its Effect on Collisional Vibrational Energy Exchange
E. Garcia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Global ab Initio Potential Energy Surface for the O2(3Σg-) + N2(1Σg+) Interaction. Applications to the Collisional, Spectroscopic, and Thermodynamic Properties of the Complex
Massimiliano Bartolomei et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Global ab initio ground-state potential energy surface of N4
Yuliya Paukku et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems
Jun Li et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Permutation invariant polynomial neural network approach to fitting potential energy surfaces
Bin Jiang et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Accurate ab-Initio-Based Single-Sheeted DMBE Potential-Energy Surface for Ground-State N2O
Jing Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
A theoretical study of the reaction of N(4S) with nitrogen dioxide on the N2O2 potential energy surface
Ming-Hui Zuo et al.
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Molpro: a general-purpose quantum chemistry program package
Hans-Joachim Werner et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Theoretical and Experimental Spectroscopy of the S2 State of CHF and CDF: Dynamically Weighted Multireference Configuration Interaction Calculations for High-Lying Electronic States
Richard Dawes et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Simplified CCSD(T)-F12 methods: Theory and benchmarks
Gerald Knizia et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Efficient Diffuse Basis Sets: cc-pVxZ plus and maug-cc-pVxZ
Ewa Papajak et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
A simple and efficient CCSD(T)-F12 approximation
Thomas B. Adler et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Dynamically weighted multiconfiguration self-consistent field:: Multistate calculations for F+H2O→HF+OH reaction paths
MP Deskevich et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
The asymmetric dimer N2-O2:: Characterization of the potential energy surface and quantum mechanical calculation of rotovibrational levels
V Aquilanti et al.
JOURNAL OF CHEMICAL PHYSICS (2003)