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Vibrational ground state properties of H(5)(+) and its isotopomers from diffusion Monte Carlo calculations.

The Journal of chemical physics

Acioli PH, Xie Z, Braams BJ, Bowman JM.
PMID: 18345899
J Chem Phys. 2008 Mar 14;128(10):104318. doi: 10.1063/1.2838847.

Diffusion Monte Carlo computations, with and without importance sampling, of the zero-point properties of H(5)(+) and its isotopomers using a recent high accuracy global potential energy surface are presented. The global minimum of the potential possesses C(2v) symmetry, but...

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Acioli PH, Xie Z, Braams BJ, et al. Vibrational ground state properties of H(5)(+) and its isotopomers from diffusion Monte Carlo calculations. J Chem Phys. 2008;128(10):104318doi: 10.1063/1.2838847.
Acioli, P. H., Xie, Z., Braams, B. J., & Bowman, J. M. (2008). Vibrational ground state properties of H(5)(+) and its isotopomers from diffusion Monte Carlo calculations. The Journal of chemical physics, 128(10), 104318. https://doi.org/10.1063/1.2838847
Acioli, Paulo H, et al. "Vibrational ground state properties of H(5)(+) and its isotopomers from diffusion Monte Carlo calculations." The Journal of chemical physics vol. 128,10 (2008): 104318. doi: https://doi.org/10.1063/1.2838847
Acioli PH, Xie Z, Braams BJ, Bowman JM. Vibrational ground state properties of H(5)(+) and its isotopomers from diffusion Monte Carlo calculations. J Chem Phys. 2008 Mar 14;128(10):104318. doi: 10.1063/1.2838847. PMID: 18345899.
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Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction.

The Journal of chemical physics

Chakraborty A, Truhlar DG, Bowman JM, Carter S.
PMID: 15260761
J Chem Phys. 2004 Aug 01;121(5):2071-84. doi: 10.1063/1.1759627.

The rovibration partition function of CH4 was calculated in the temperature range of 100-1000 K using well-converged energy levels that were calculated by vibrational-rotational configuration interaction using the Watson Hamiltonian for total angular momenta J = 0-50 and the...

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Chakraborty A, Truhlar DG, Bowman JM, et al. Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction. J Chem Phys. 2004;121(5):2071-84doi: 10.1063/1.1759627.
Chakraborty, A., Truhlar, D. G., Bowman, J. M., & Carter, S. (2004). Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction. The Journal of chemical physics, 121(5), 2071-84. https://doi.org/10.1063/1.1759627
Chakraborty, Arindam, et al. "Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction." The Journal of chemical physics vol. 121,5 (2004): 2071-84. doi: https://doi.org/10.1063/1.1759627
Chakraborty A, Truhlar DG, Bowman JM, Carter S. Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction. J Chem Phys. 2004 Aug 01;121(5):2071-84. doi: 10.1063/1.1759627. PMID: 15260761.
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Quasiclassical trajectory study of the CH3++HD-->CH2D++H2 Reaction.

The journal of physical chemistry. A

Christoffel KM, Jin Z, Braams BJ, Bowman JM.
PMID: 17388348
J Phys Chem A. 2007 Jul 26;111(29):6658-64. doi: 10.1021/jp068722l. Epub 2007 Mar 13.

A full dimensional ab initio potential energy surface for the CH5+ system based on coupled cluster electronic structure calculations and capable of describing the dissociation of methonium ion into methyl cation and molecular hydrogen (J. Phys. Chem. A 2006,...

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Christoffel KM, Jin Z, Braams BJ, et al. Quasiclassical trajectory study of the CH3++HD-->CH2D++H2 Reaction. J Phys Chem A. 2007;111(29):6658-64doi: 10.1021/jp068722l.
Christoffel, K. M., Jin, Z., Braams, B. J., & Bowman, J. M. (2007). Quasiclassical trajectory study of the CH3++HD-->CH2D++H2 Reaction. The journal of physical chemistry. A, 111(29), 6658-64. https://doi.org/10.1021/jp068722l
Christoffel, Kurt M, et al. "Quasiclassical trajectory study of the CH3++HD-->CH2D++H2 Reaction." The journal of physical chemistry. A vol. 111,29 (2007): 6658-64. doi: https://doi.org/10.1021/jp068722l
Christoffel KM, Jin Z, Braams BJ, Bowman JM. Quasiclassical trajectory study of the CH3++HD-->CH2D++H2 Reaction. J Phys Chem A. 2007 Jul 26;111(29):6658-64. doi: 10.1021/jp068722l. Epub 2007 Mar 13. PMID: 17388348.
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Toward self-assembled ferroelectric random access memories: hard-wired switching capacitor arrays with almost Tb/in.(2) densities.

Nano letters

Evans PR, Zhu X, Baxter P, McMillen M, McPhillips J, Morrison FD, Scott JF, Pollard RJ, Bowman RM, Gregg JM.
PMID: 17407362
Nano Lett. 2007 May;7(5):1134-7. doi: 10.1021/nl0626028. Epub 2007 Apr 04.

We report on the successful fabrication of arrays of switchable nanocapacitors made by harnessing the self-assembly of materials. The structures are composed of arrays of 20-40 nm diameter Pt nanowires, spaced 50-100 nm apart, electrodeposited through nanoporous alumina onto...

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Evans PR, Zhu X, Baxter P, et al. Toward self-assembled ferroelectric random access memories: hard-wired switching capacitor arrays with almost Tb/in.(2) densities. Nano Lett. 2007;7(5):1134-7doi: 10.1021/nl0626028.
Evans, P. R., Zhu, X., Baxter, P., McMillen, M., McPhillips, J., Morrison, F. D., Scott, J. F., Pollard, R. J., Bowman, R. M., & Gregg, J. M. (2007). Toward self-assembled ferroelectric random access memories: hard-wired switching capacitor arrays with almost Tb/in.(2) densities. Nano letters, 7(5), 1134-7. https://doi.org/10.1021/nl0626028
Evans, Paul R, et al. "Toward self-assembled ferroelectric random access memories: hard-wired switching capacitor arrays with almost Tb/in.(2) densities." Nano letters vol. 7,5 (2007): 1134-7. doi: https://doi.org/10.1021/nl0626028
Evans PR, Zhu X, Baxter P, McMillen M, McPhillips J, Morrison FD, Scott JF, Pollard RJ, Bowman RM, Gregg JM. Toward self-assembled ferroelectric random access memories: hard-wired switching capacitor arrays with almost Tb/in.(2) densities. Nano Lett. 2007 May;7(5):1134-7. doi: 10.1021/nl0626028. Epub 2007 Apr 04. PMID: 17407362.
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Some current trends in problems of the aged.

Geriatrics

BOWMAN KM.
PMID: 13630389
Geriatrics. 1959 Mar;14(3):163-74.

No abstract available.

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BOWMAN KM. Some current trends in problems of the aged. Geriatrics. 1959;14(3):163-74
BOWMAN, K. M. (1959). Some current trends in problems of the aged. Geriatrics, 14(3), 163-74.
BOWMAN, K M. "Some current trends in problems of the aged." Geriatrics vol. 14,3 (1959): 163-74.
BOWMAN KM. Some current trends in problems of the aged. Geriatrics. 1959 Mar;14(3):163-74. PMID: 13630389.
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Comment on "Nature of the chemical bond in protonated methane".

The journal of physical chemistry. A

Hinkle CE, McCoy AB, Huang X, Bowman JM.
PMID: 17311368
J Phys Chem A. 2007 Mar 15;111(10):2033-4. doi: 10.1021/jp067486b. Epub 2007 Feb 21.

No abstract available.

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Hinkle CE, McCoy AB, Huang X, et al. Comment on "Nature of the chemical bond in protonated methane". J Phys Chem A. 2007;111(10):2033-4doi: 10.1021/jp067486b.
Hinkle, C. E., McCoy, A. B., Huang, X., & Bowman, J. M. (2007). Comment on "Nature of the chemical bond in protonated methane". The journal of physical chemistry. A, 111(10), 2033-4. https://doi.org/10.1021/jp067486b
Hinkle, Charlotte E, et al. "Comment on "Nature of the chemical bond in protonated methane"." The journal of physical chemistry. A vol. 111,10 (2007): 2033-4. doi: https://doi.org/10.1021/jp067486b
Hinkle CE, McCoy AB, Huang X, Bowman JM. Comment on "Nature of the chemical bond in protonated methane". J Phys Chem A. 2007 Mar 15;111(10):2033-4. doi: 10.1021/jp067486b. Epub 2007 Feb 21. PMID: 17311368.
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CEREBRAL METABOLISM DURING FEVER.

Science (New York, N.Y.)

Himwich HE, Bowman KM, Goldfarb W, Fazekas JF.
PMID: 17776102
Science. 1939 Oct 27;90(2339):398. doi: 10.1126/science.90.2339.398.

No abstract available.

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Himwich HE, Bowman KM, Goldfarb W, et al. CEREBRAL METABOLISM DURING FEVER. Science. 1939;90(2339):398doi: 10.1126/science.90.2339.398.
Himwich, H. E., Bowman, K. M., Goldfarb, W., & Fazekas, J. F. (1939). CEREBRAL METABOLISM DURING FEVER. Science (New York, N.Y.), 90(2339), 398. https://doi.org/10.1126/science.90.2339.398
Himwich, H E, et al. "CEREBRAL METABOLISM DURING FEVER." Science (New York, N.Y.) vol. 90,2339 (1939): 398. doi: https://doi.org/10.1126/science.90.2339.398
Himwich HE, Bowman KM, Goldfarb W, Fazekas JF. CEREBRAL METABOLISM DURING FEVER. Science. 1939 Oct 27;90(2339):398. doi: 10.1126/science.90.2339.398. PMID: 17776102.
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Zero-point energy constraint in quasi-classical trajectory calculations.

The journal of physical chemistry. A

Xie Z, Bowman JM.
PMID: 16623473
J Phys Chem A. 2006 Apr 27;110(16):5446-9. doi: 10.1021/jp055861e.

A method to constrain the zero-point energy in quasi-classical trajectory calculations is proposed and applied to the Henon-Heiles system. The main idea of this method is to smoothly eliminate the coupling terms in the Hamiltonian as the energy of...

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Xie Z, Bowman JM. Zero-point energy constraint in quasi-classical trajectory calculations. J Phys Chem A. 2006;110(16):5446-9doi: 10.1021/jp055861e.
Xie, Z., & Bowman, J. M. (2006). Zero-point energy constraint in quasi-classical trajectory calculations. The journal of physical chemistry. A, 110(16), 5446-9. https://doi.org/10.1021/jp055861e
Xie, Zhen, and Bowman, Joel M. "Zero-point energy constraint in quasi-classical trajectory calculations." The journal of physical chemistry. A vol. 110,16 (2006): 5446-9. doi: https://doi.org/10.1021/jp055861e
Xie Z, Bowman JM. Zero-point energy constraint in quasi-classical trajectory calculations. J Phys Chem A. 2006 Apr 27;110(16):5446-9. doi: 10.1021/jp055861e. PMID: 16623473.
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Deuteration effects on the structure and infrared spectrum of CH5(+).

Journal of the American Chemical Society

Huang X, Johnson LM, Bowman JM, McCoy AB.
PMID: 16536495
J Am Chem Soc. 2006 Mar 22;128(11):3478-9. doi: 10.1021/ja057514o.

The CH5+ molecular ion is well-known for its large amplitude motions that lead to complete scrambling of the hydrogen atoms, even in the vibrational ground state. Experiments have been reported that probe the consequences of these large amplitude motions....

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Huang X, Johnson LM, Bowman JM, et al. Deuteration effects on the structure and infrared spectrum of CH5(+). J Am Chem Soc. 2006;128(11):3478-9doi: 10.1021/ja057514o.
Huang, X., Johnson, L. M., Bowman, J. M., & McCoy, A. B. (2006). Deuteration effects on the structure and infrared spectrum of CH5(+). Journal of the American Chemical Society, 128(11), 3478-9. https://doi.org/10.1021/ja057514o
Huang, Xinchuan, et al. "Deuteration effects on the structure and infrared spectrum of CH5(+)." Journal of the American Chemical Society vol. 128,11 (2006): 3478-9. doi: https://doi.org/10.1021/ja057514o
Huang X, Johnson LM, Bowman JM, McCoy AB. Deuteration effects on the structure and infrared spectrum of CH5(+). J Am Chem Soc. 2006 Mar 22;128(11):3478-9. doi: 10.1021/ja057514o. PMID: 16536495.
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Alterations in skeletal and mineral metabolism following thermal injuries.

Journal of musculoskeletal & neuronal interactions

Shea JE, Bowman BM, Miller SC.
PMID: 15758344
J Musculoskelet Neuronal Interact. 2003 Sep;3(3):214-22.

Severe burns and other chronic inflammatory diseases are associated with altered skeletal metabolism that result in an increased incidence of osteopenia. In thermally injured children and adults there is a dramatic decrease in bone formation accompanied with an increase...

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Shea JE, Bowman BM, Miller SC. Alterations in skeletal and mineral metabolism following thermal injuries. J Musculoskelet Neuronal Interact. 2003;3(3):214-22
Shea, J. E., Bowman, B. M., & Miller, S. C. (2003). Alterations in skeletal and mineral metabolism following thermal injuries. Journal of musculoskeletal & neuronal interactions, 3(3), 214-22.
Shea, J E, et al. "Alterations in skeletal and mineral metabolism following thermal injuries." Journal of musculoskeletal & neuronal interactions vol. 3,3 (2003): 214-22.
Shea JE, Bowman BM, Miller SC. Alterations in skeletal and mineral metabolism following thermal injuries. J Musculoskelet Neuronal Interact. 2003 Sep;3(3):214-22. PMID: 15758344.
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Experimental and theoretical study of the infrared spectra of BrHI- and BrDI-.

The Journal of chemical physics

Nee MJ, Osterwalder A, Neumark DM, Kaposta C, Cibrián Uhalte C, Xie T, Kaledin A, Bowman JM, Carter S, Asmis KR.
PMID: 15473794
J Chem Phys. 2004 Oct 15;121(15):7259-68. doi: 10.1063/1.1794671.

Gas phase vibrational spectra of BrHI- and BrDI- have been measured from 6 to 17 microm (590-1666 cm(-1)) using tunable infrared radiation from the free electron laser for infrared experiments in order to characterize the strong hydrogen bond in...

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Nee MJ, Osterwalder A, Neumark DM, et al. Experimental and theoretical study of the infrared spectra of BrHI- and BrDI-. J Chem Phys. 2004;121(15):7259-68doi: 10.1063/1.1794671.
Nee, M. J., Osterwalder, A., Neumark, D. M., Kaposta, C., Cibrián Uhalte, C., Xie, T., Kaledin, A., Bowman, J. M., Carter, S., & Asmis, K. R. (2004). Experimental and theoretical study of the infrared spectra of BrHI- and BrDI-. The Journal of chemical physics, 121(15), 7259-68. https://doi.org/10.1063/1.1794671
Nee, M J, et al. "Experimental and theoretical study of the infrared spectra of BrHI- and BrDI-." The Journal of chemical physics vol. 121,15 (2004): 7259-68. doi: https://doi.org/10.1063/1.1794671
Nee MJ, Osterwalder A, Neumark DM, Kaposta C, Cibrián Uhalte C, Xie T, Kaledin A, Bowman JM, Carter S, Asmis KR. Experimental and theoretical study of the infrared spectra of BrHI- and BrDI-. J Chem Phys. 2004 Oct 15;121(15):7259-68. doi: 10.1063/1.1794671. PMID: 15473794.
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The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface.

The Journal of chemical physics

Rheinecker JL, Bowman JM.
PMID: 16613440
J Chem Phys. 2006 Apr 07;124(13):131102. doi: 10.1063/1.2186990.

We report a full dimensional ab initio-based global potential energy surface (PES) and dipole moment surface (DMS) for Cl(-)H(2)O. Both surfaces are symmetric with respect to interchange of the H atoms. The PES is a fit to thousands of...

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Rheinecker JL, Bowman JM. The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface. J Chem Phys. 2006;124(13):131102doi: 10.1063/1.2186990.
Rheinecker, J. L., & Bowman, J. M. (2006). The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface. The Journal of chemical physics, 124(13), 131102. https://doi.org/10.1063/1.2186990
Rheinecker, Jaime L, and Bowman, Joel M. "The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface." The Journal of chemical physics vol. 124,13 (2006): 131102. doi: https://doi.org/10.1063/1.2186990
Rheinecker JL, Bowman JM. The calculated infrared spectrum of Cl- H2O using a full dimensional ab initio potential surface and dipole moment surface. J Chem Phys. 2006 Apr 07;124(13):131102. doi: 10.1063/1.2186990. PMID: 16613440.
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Showing 25 to 36 of 618 entries