|
Title |
Authors |
Journal or Book |
Vol. |
Page |
Year |
|
Quasiclassical trajectory calculations of correlated product distributions for the F+CHD3(v1=0,1) reactions using an ab initio potential energy surface |
G. Czako and J. M. Bowman |
J. Chem. Phys. |
131 |
244302 |
2009 |
|
Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE |
S. Carter, A. R. Sharma, J. M. Bowman, P. Rosmus, and R. Tarroni |
J. Chem. Phys. |
131 |
224106 |
2009 |
|
CH stretching excitation steers the F atom to the CD bond in the F + CHD3 reaction (Communication) |
G. Czako and J. M. Bowman |
J. Am. Chem. Soc. |
131 |
17534 |
2009 |
|
Full-dimensional, ab initio potential energy and dipole moment surfaces for water |
Y. Wang, B. C. Shepler, B. J. Braams and J. M. Bowman |
J. Chem. Phys. |
131 |
054511 |
2009 |
|
Ab initio calculation of the photoelectron spectra of the hydroxycarbene diradicals |
L. Koziol, V. A. Mozhayskiy, B. J. Braams, J. M. Bowman, and A. I. Krylov |
J. Phys. Chem. A |
113 |
7802 |
2009 |
|
Calculation of the vibrational sprectra of H5O2+ and its deuterium-substitued isotopologues by molecular dynamics simulations |
M. Kaledin, A. L. Kaledin, J. M. Bowman, J. Ding, and K. D. Jordan |
J. Phys. Chem. A |
113 |
7671 |
2009 |
|
Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl |
A. R. Sharma, B. J. Braams, S. Carter, B. C. Shepler, and J. M. Bowman |
J. Chem. Phys. |
130 |
174301 |
2009 |
|
Reduced-dimensional quantum approach to tunneling splittings using saddle-point normal coordinates |
E. Kamarchik, Y.-M. Wang, and J. M. Bowman |
J. Phys. Chem. A |
113 |
7556 |
2009 |
|
Quasiclassical trajectory calculations of the HO2 + NO reaction on a global potential energy surface |
C. Chen, B. C. Shepler, B. J. Braams, and J. M. Bowman |
Phys. Chem. Chem. Phys. |
11 |
4722 |
2009 |
|
Three reaction pathways in the H + HCO → H2 + CO reaction |
K. M. Christoffel and J. M. Bowman |
J. Phys. Chem. A |
113 |
4138 |
2009 |
|
Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer |
C. A. Shank, Y.-M. Wang, A. L. Kaledin, B. J. Braams, and J. M. Bowman |
J. Chem. Phys. |
130 |
144314 |
2009 |
|
Ab initio modeling of molecular IR spectra of astrophysical interest: Application to CH4 |
R. Warmbier, R. Schneider, A. R. Sharma, B .J. Braams, J. M. Bowman, and P. H. Hauschildt |
Astron. Astrophys. |
495 |
655 |
2009 |
|
Production of vibrationally excited H2O from charge exchange of H3O+ with cesium |
J. E. Mann, Z. Xie, J. D. Savee, J. M. Bowman, and R. Continetti |
J. Chem. Phys. |
130 |
041102 |
2009 |
|
Accurate ab initio potential energy surface, dynamics , and thermochemistry of the F + CH4 → HF + CH3 reaction |
G. Czako, B. C. Shepler, B. J. Braams, and J. M. Bowman |
J. Chem. Phys. |
130 |
084301 |
2009 |
|
Proton affinity and enthalpy of formation of formaldehyde |
G. Czako, B. Nagy, G. Tasi, A. Somogyi, J. Simunek, J. Noga, B. J. Braams, J. M. Bowman, and A. G. Csaszar |
Int. J. Quant. Chem. |
109 |
2393 |
2009 |
|
High torsional vibrational energies of H2O2 and CH3OH studied by MULTIMODE with a large amplitude motion coupled to two effective contraction schemes |
S. Carter, N. C. Handy, and J. M. Bowman |
Mol. Phys. |
107 |
727 |
2009 |
|
Roaming dynamics in formaldehyde-d2 dissociation |
V. Goncharov, S. A. Lahankar, J. D. Farnum, J. M. Bowman, and A. G. Suits |
J. Phys. Chem. A |
113 |
15315 |
2009 |
|
Permutationallly invariant potential energy surface in high dimensionality |
B. J. Braams and J. M. Bowman |
Int. Rev. Phys. Chem. |
28 |
577 |
2009 |