Citation: F. Huarte-larranaga et U. Manthe, Quantum dynamics of the CH4+H -> CH3+H-2 reaction: Full-dimensional and reduced dimensionality rate constant calculations, J PHYS CH A, 105(12), 2001, pp. 2522-2529
Citation: C. Meier et U. Manthe, Full-dimensional quantum study of the vibrational predissociation of the I-2 center dot center dot center dot Ne-2 cluster, J CHEM PHYS, 115(12), 2001, pp. 5477-5484
Citation: M. Santer et al., Quantum-classical Liouville description of multidimensional nonadiabatic molecular dynamics, J CHEM PHYS, 114(5), 2001, pp. 2001-2012
Authors:
Bowman, JM
Wang, DY
Huang, XC
Huarte-Larranaga, F
Manthe, U
Citation: Jm. Bowman et al., The importance of an accurate CH4 vibrational partition function in full dimensionality calculations of the H+CH4 -> H-2+CH3 reaction, J CHEM PHYS, 114(21), 2001, pp. 9683-9684
Citation: U. Manthe et F. Huarte-larranaga, Partition functions for reaction rate calculations: statistical sampling and MCTDH propagation, CHEM P LETT, 349(3-4), 2001, pp. 321-328
Citation: U. Manthe et F. Matzkies, Rotational effects in the H-2+OH -> H+H2O reaction rate: Full-dimensional close-coupling results, J CHEM PHYS, 113(14), 2000, pp. 5725-5731
Citation: F. Huarte-larranaga et U. Manthe, Full dimensional quantum calculations of the CH4+H -> CH3+H-2 reaction rate, J CHEM PHYS, 113(13), 2000, pp. 5115-5118
Citation: F. Matzkies et U. Manthe, Combined iterative diagonalization and statistical sampling in accurate reaction rate calculations: Rotational effects in O+HCl -> OH+Cl, J CHEM PHYS, 112(1), 2000, pp. 130-136
Citation: F. Matzkies et U. Manthe, Accurate reaction rate calculations including internal and rotational motion: A statistical multi-configurational time-dependent Hartree approach, J CHEM PHYS, 110(1), 1999, pp. 88-96
Citation: U. Manthe et al., Quantum-mechanical calculation of the thermal rate constant for the H-2+Cl-> H+HClreaction, CHEM P LETT, 313(3-4), 1999, pp. 647-654
Authors:
Davidson, ER
Morokuma, K
Nguyen, MT
Allen, WD
Clary, DC
Handy, NC
Schatz, GC
Light, JC
Bowman, JM
Zhang, JZH
Manthe, U
Connor, JNL
Jakubetz, W
Manolopoulos, DE
Kuppermann, A
Taylor, PR
Anderson, JB
Aoiz, FJ
Castillo, JF
Lagana, A
de Aspuru, O
Tully, JC
Lemoine, D
Dobbyn, A
Mahapatra, S
Miller, WH
Poirier, B
Stoecklin, T
Hutson, J
Truhlar, DG
Nyman, GBL
Huarte-Larranaga, F
Gimenez, X
Althorpe, SC
Balint-Kurti, GG
Kouri, DJ
Kroes, GJ
Riganelli, A
Goldfield, E
Knowles, PJ
Trindle, C
Schaefer, HF
Citation: Er. Davidson et al., General discussion, FARADAY DIS, (110), 1998, pp. 207-252