Global ab initio ground-state potential energy surface of N4

Ab initiopotential energy surface for the nitrogen molecule pair and thermophysical properties of nitrogen gas

(2012) Robert Hellmann   MOLECULAR PHYSICS

Ab Initio Based Double-Sheeted DMBE Potential Energy Surface for N3(2A″) and Exploratory Dynamics Calculations

(2011) B. R. L. Galvão et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantifying the anisotropy of intermolecular potential energy surfaces: a critical assessment of available N2–N2 potentials

(2011) M. H. Karimi-Jafari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Quasiclassical trajectory study of the postquenching dynamics of OH AΣ2+ by H2/D2 on a global potential energy surface

(2010) Bina Fu et al.   JOURNAL OF CHEMICAL PHYSICS

A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional form

(2010) A. Aguado et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2010) J. M. Bowman et al.   Journal of Physical Chemistry Letters

Permutationally invariant potential energy surfaces in high dimensionality

(2009) Bastiaan J. Braams et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Analytical potential energy surfaces for N3 low-lying doublet states

(2009) Zhi Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Valence–Bond Order (VBO): A New Approach to Modeling Reactive Potential Energy Surfaces for Complex Systems, Materials, and Nanoparticles

(2009) Meiyu Zhao et al.   Journal of Chemical Theory and Computation

Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZ

(2009) Ewa Papajak et al.   Journal of Chemical Theory and Computation

Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization

(2009) Zhen Xie et al.   Journal of Chemical Theory and Computation

Accurate Double Many-Body Expansion Potential Energy Surface for N3(4A′′) from Correlation Scaled ab Initio Energies with Extrapolation to the Complete Basis Set Limit†

(2009) B. R. L. Galvão et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structures and energies of low-lying doublet excited states of N3 from accurate configuration interaction calculations

(2009) Ioannis S.K. Kerkines et al.   MOLECULAR PHYSICS

A bond–bond description of the intermolecular interaction energy: the case of weakly bound N2–H2 and N2–N2 complexes

(2008) D. Cappelletti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling the global potential energy surface of the N + N2 reaction from ab initio data

(2008) Ernesto Garcia et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS