Theoretical methods for rovibrational states of floppy molecules JC Light
Annu. Rev. Phys. Chem 40, 469-98, 1989
1010 1989 Highly excited vibrational levels of ‘‘floppy’’triatomic molecules: A discrete variable representation—Distributed Gaussian basis approach Z Bac̆ić, JC Light
The Journal of chemical physics 85 (8), 4594-4604, 1986
576 1986 Accurate localized and delocalized vibrational states of HCN/HNC Z Bačić, JC Light
The Journal of chemical physics 86 (6), 3065-3077, 1987
342 1987 Adiabatic approximation and nonadiabatic corrections in the discrete variable representation: Highly excited vibrational states of triatomic molecules JC Light, Z Bačić
The Journal of chemical physics 87 (7), 4008-4019, 1987
228 1987 Molecular clusters: Structure and dynamics of weakly bound systems Z Bačić, RE Miller
The Journal of Physical Chemistry 100 (31), 12945-12959, 1996
191 1996 Exact full‐dimensional bound state calculations for (HF)2 , (DF)2 , and HFDF DH Zhang, Q Wu, JZH Zhang, M Von Dirke, Z Bačić
The Journal of chemical physics 102 (6), 2315-2325, 1995
159 1995 Localized representations for large amplitude molecular vibrations Z Bačić, RM Whitnell, D Brown, JC Light
Computer physics communications 51 (1-2), 35-47, 1988
139 1988 A variational localized representation calculation of the vibrational levels of the water molecule up to 27 000 cm− 1 Z Bačić, D Watt, JC Light
The Journal of chemical physics 89 (2), 947-955, 1988
123 1988 Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. IV. Discrete variable representation (DVR) basis functions and the analysis of accurate … Z Bačić, JD Kress, GA Parker, RT Pack
The Journal of chemical physics 92 (4), 2344-2361, 1990
121 1990 Highly excited vibration–rotation states of floppy triatomic molecules by a localized representation method: The HCN/HNC molecule M Mladenović, Z Bačić
The Journal of chemical physics 93 (5), 3039-3053, 1990
95 1990 Hydrogen molecule in the small dodecahedral cage of a clathrate hydrate: quantum five-dimensional calculations of the coupled translation− rotation eigenstates M Xu, YS Elmatad, F Sebastianelli, JW Moskowitz, Z Bačić
The Journal of Physical Chemistry B 110 (49), 24806-24811, 2006
94 2006 H2, HD, and D2 inside C60: Coupled translation-rotation eigenstates of the endohedral molecules from quantum five-dimensional calculations M Xu, F Sebastianelli, Z Bačić, R Lawler, NJ Turro
The Journal of chemical physics 129 (6), 2008
93 2008 A theoretical study of vibrational mode coupling in J Dai, Z Bačić, X Huang, S Carter, JM Bowman
The Journal of chemical physics 119 (13), 6571-6580, 2003
91 2003 Vibrational levels and tunneling dynamics by the optimal coordinates, self-consistent field method: A study of hydrocyanic acid. dblarw. hydroisocyanic acid Z Bacic, RB Gerber, MA Ratner
The Journal of Physical Chemistry 90 (16), 3606-3612, 1986
87 1986 Quantum dynamics of coupled translational and rotational motions of H2 inside C60 M Xu, F Sebastianelli, Z Bačić, R Lawler, NJ Turro
The Journal of chemical physics 128 (1), 2008
84 2008 Equilibrium structures and approximate HF vibrational red shifts for Arn n =1–14) van der Waals clusters S Liu, Z Bačić, JW Moskowitz, KE Schmidt
The Journal of chemical physics 100 (10), 7166-7181, 1994
82 1994 van der Waals vibrational states of atom–large molecule complexes by a 3D discrete variable representation method: Naphthalene⋅ Ar M Mandziuk, Z Bačić
The Journal of chemical physics 98 (9), 7165-7178, 1993
80 1993 Coupled translation-rotation eigenstates of H2 in C60 and C70 on the spectroscopically optimized interaction potential: Effects of cage anisotropy on the energy level structure … M Xu, F Sebastianelli, BR Gibbons, Z Bačić, R Lawler, NJ Turro
The Journal of chemical physics 130 (22), 2009
77 2009 Six-dimensional quantum calculations of vibration-rotation-tunneling levels of Y Qiu, JZH Zhang, Z Bačić
The Journal of chemical physics 108 (12), 4804-4816, 1998
77 1998 Exact six-dimensional quantum calculations of the rovibrational levels of Y Qiu, Z Bačić
The Journal of chemical physics 106 (6), 2158-2170, 1997
75 1997 