#Fortran code for potential energy surface of He-N2O
#ARTICLE INFORMATION
Journal: Journal of Chemical Physics
Year: 2012, Vol. 137, Page 104311
Author(s): L. Wang, D. Xie, R. J. Le Roy and P.-N. Roy
Title: "A new four-dimensional ab initio potential energy surface for N2O-He and vibrational band origin shifts for the N2O-HeN clusters with N =1~40"
#DEPOSIT INFORMATION
README.md: this file
N2O_He_4D_PES.f.txt: Fortran subroutine for generating the 4D MLR potential energy surface for N2O-He
N2O_He_2D_PES.f.txt: Fortran subroutine for generating the 2D MLR potential energy surfaces for (14)N2(16)O-He
Total No. of Files: 3
Filenames: README.md N2O_He_4D_PES.f.txt N2O_He_2D_PES.f.txt
#CONTACT INFORMATION Lecheng Wang, David R. Cheriton School of Computer Science, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada e=mail: lecheng.wang@uwaterloo.ca
Daiqian Xie, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, Jiangsu, 210093, China e=mail: dqxie@nju.edu.cn
Robert J. Le Roy, Department of Chemistry, University of Waterloo, Waterloo, Ontarionn N2L 3G1, Canada e=mail: leroy@uwaterloo.ca