Bowman JM - Search Results

1

"Plug and play" full-dimensional ab initio potential energy and dipole moment surfaces and anharmonic vibrational analysis for CH4-H2O.

Qu C, Conte R, Houston PL, Bowman JM. Qu C, et al. Among authors: bowman jm. Phys Chem Chem Phys. 2015 Mar 28;17(12):8172-81. doi: 10.1039/c4cp05913a. Phys Chem Chem Phys. 2015. PMID: 25726765 Free article.

2

Quantum calculations of vibrational energies of H3O2- on an ab initio potential.

Huang X, Braams BJ, Carter S, Bowman JM. Huang X, et al. Among authors: bowman jm. J Am Chem Soc. 2004 Apr 28;126(16):5042-3. doi: 10.1021/ja049801i. J Am Chem Soc. 2004. PMID: 15099067

3

A reduced dimensionality quasiclassical and quantum study of the proton transfer reaction H3O(+)+H2O-->H2O+H3O(+).

Rheinecker J, Xie T, Bowman JM. Rheinecker J, et al. Among authors: bowman jm. J Chem Phys. 2004 Apr 15;120(15):7018-23. doi: 10.1063/1.1668637. J Chem Phys. 2004. PMID: 15267602

4

Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach.

Brown A, McCoy AB, Braams BJ, Jin Z, Bowman JM. Brown A, et al. Among authors: bowman jm. J Chem Phys. 2004 Sep 1;121(9):4105-16. doi: 10.1063/1.1775767. J Chem Phys. 2004. PMID: 15332956

5

Normal mode analysis using the driven molecular dynamics method. II. An application to biological macromolecules.

Kaledin M, Brown A, Kaledin AL, Bowman JM. Kaledin M, et al. Among authors: bowman jm. J Chem Phys. 2004 Sep 22;121(12):5646-53. doi: 10.1063/1.1777573. J Chem Phys. 2004. PMID: 15366988

6

Ab initio potential energy and dipole moment surfaces for H5O2 +.

Huang X, Braams BJ, Bowman JM. Huang X, et al. Among authors: bowman jm. J Chem Phys. 2005 Jan 22;122(4):44308. doi: 10.1063/1.1834500. J Chem Phys. 2005. PMID: 15740249

7

Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface.

McCoy AB, Huang X, Carter S, Landeweer MY, Bowman JM. McCoy AB, et al. Among authors: bowman jm. J Chem Phys. 2005 Feb 8;122(6):061101. doi: 10.1063/1.1857472. J Chem Phys. 2005. PMID: 15740358

8

Quasiclassical trajectory study of formaldehyde unimolecular dissociation: H(2)CO-->H2 + CO, H + HCO.

Zhang X, Rheinecker JL, Bowman JM. Zhang X, et al. Among authors: bowman jm. J Chem Phys. 2005 Mar 15;122(11):114313. doi: 10.1063/1.1872838. J Chem Phys. 2005. PMID: 15836221

9

Ab initio global potential-energy surface for H5(+) --> H3(+) + H2.

Xie Z, Braams BJ, Bowman JM. Xie Z, et al. Among authors: bowman jm. J Chem Phys. 2005 Jun 8;122(22):224307. doi: 10.1063/1.1927529. J Chem Phys. 2005. PMID: 15974668

10

Ab initio potential energy and dipole moment surfaces of (H2O)2.

Huang X, Braams BJ, Bowman JM. Huang X, et al. Among authors: bowman jm. J Phys Chem A. 2006 Jan 19;110(2):445-51. doi: 10.1021/jp053583d. J Phys Chem A. 2006. PMID: 16405316

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