#Fortran code for potential energy surface of H2-N2O
#ARTICLE INFORMATION
Journal: Journal of Chemical Physics Year: 2013, Vol. 139, Page 034312 Author(s): L. Wang, D. Xie, R. J. Le Roy and P.-N. Roy
Title: "A new six-dimensional potential energy surface for H2--N2O and its adiabatic-hindered-rotor treatment"
#DEPOSIT INFORMATION
README.md: this file
N2O_H2_4D_PES.f: Fortran subroutine for generating the 4D MLR potential energy surface for H2-N2O
N2O_H2_2D_PES.f: Fortran subroutine for generating the 2D MLR potential energy surfaces for para-H2-N2O and ortho-D2-N2O
Total No. of Files: 3
Filenames: README.md, N2O_H2_4D_PES.f.txt, N2O_PH2_OD2_PARA_.txt
#CONTACT INFORMATION:
Lecheng Wang
David R. Cheriton School of Computer Science, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada e=mail: [email protected]
Daiqian Xie School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, Jiangsu, 210093, China e=mail: [email protected]
Robert J. Le Roy, Department of Chemistry, University of Waterloo, Waterloo, Ontarionn N2L 3G1, Canada e=mail: [email protected] ============================README.TXT===========================