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Hydrogen Abstraction Acetylene Addition and Diels-Alder Mechanisms of PAH Formation:  A Detailed Study Using First Principles Calculations.

Journal of chemical theory and computation

Kislov VV, Islamova NI, Kolker AM, Lin SH, Mebel AM.
PMID: 26641907
J Chem Theory Comput. 2005 Sep;1(5):908-24. doi: 10.1021/ct0500491.

Extensive ab initio Gaussian-3-type calculations of potential energy surfaces (PES), which are expected to be accurate within 1-2 kcal/mol, combined with statistical theory calculations of reaction rate constants have been applied to study various possible pathways in the hydrogen...

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Kislov VV, Islamova NI, Kolker AM, et al. Hydrogen Abstraction Acetylene Addition and Diels-Alder Mechanisms of PAH Formation:  A Detailed Study Using First Principles Calculations. J Chem Theory Comput. 2005;1(5):908-24doi: 10.1021/ct0500491.
Kislov, V. V., Islamova, N. I., Kolker, A. M., Lin, S. H., & Mebel, A. M. (2005). Hydrogen Abstraction Acetylene Addition and Diels-Alder Mechanisms of PAH Formation:  A Detailed Study Using First Principles Calculations. Journal of chemical theory and computation, 1(5), 908-24. https://doi.org/10.1021/ct0500491
Kislov, V V, et al. "Hydrogen Abstraction Acetylene Addition and Diels-Alder Mechanisms of PAH Formation:  A Detailed Study Using First Principles Calculations." Journal of chemical theory and computation vol. 1,5 (2005): 908-24. doi: https://doi.org/10.1021/ct0500491
Kislov VV, Islamova NI, Kolker AM, Lin SH, Mebel AM. Hydrogen Abstraction Acetylene Addition and Diels-Alder Mechanisms of PAH Formation:  A Detailed Study Using First Principles Calculations. J Chem Theory Comput. 2005 Sep;1(5):908-24. doi: 10.1021/ct0500491. PMID: 26641907.
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Changing Characteristics of Psychiatrists Who Treat Geriatric Patients.

The American journal of geriatric psychiatry : official journal of the American Association for Geriatric Psychiatry

Colenda CC, Goldstein MZ, Pincus H, Dial T, Lyons J, Larson DB.
PMID: 28531067
Am J Geriatr Psychiatry. 1995 Autumn;3(4):330-338. doi: 10.1097/00019442-199503040-00008. Epub 2012 Sep 27.

The authors used the 1982 and 1988-89 American Psychiatric Association's Professional Activities Surveys (PAS) to describe changes in selected characteristics of United States psychiatrists treating patients age 65 and older. High geriatric case volume (HGCV) categories were considered if...

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Colenda CC, Goldstein MZ, Pincus H, et al. Changing Characteristics of Psychiatrists Who Treat Geriatric Patients. Am J Geriatr Psychiatry. 2012;3(4):330-338doi: 10.1097/00019442-199503040-00008.
Colenda, C. C., Goldstein, M. Z., Pincus, H., Dial, T., Lyons, J., & Larson, D. B. (1995). Changing Characteristics of Psychiatrists Who Treat Geriatric Patients. The American journal of geriatric psychiatry : official journal of the American Association for Geriatric Psychiatry, 3(4), 330-338. https://doi.org/10.1097/00019442-199503040-00008
Colenda, Christopher C, et al. "Changing Characteristics of Psychiatrists Who Treat Geriatric Patients." The American journal of geriatric psychiatry : official journal of the American Association for Geriatric Psychiatry vol. 3,4 (1995): 330-338. doi: https://doi.org/10.1097/00019442-199503040-00008
Colenda CC, Goldstein MZ, Pincus H, Dial T, Lyons J, Larson DB. Changing Characteristics of Psychiatrists Who Treat Geriatric Patients. Am J Geriatr Psychiatry. 1995 Autumn;3(4):330-338. doi: 10.1097/00019442-199503040-00008. Epub 2012 Sep 27. PMID: 28531067.
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Optical properties of oxygen vacancies in germanium oxides: quantum chemical modeling of photoexcitation and photoluminescence.

The journal of physical chemistry. A

Zyubin AS, Mebel AM, Lin SH.
PMID: 17629254
J Phys Chem A. 2007 Sep 27;111(38):9479-85. doi: 10.1021/jp072314f. Epub 2007 Jul 13.

Photoabsorption and photoluminescence properties of single and double oxygen vacancy (OV and DOV) defects in quartz-like germanium oxide have been investigated by high-level ab initio calculations. It has been found that photoabsorption for these systems occurs at lower energies...

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Zyubin AS, Mebel AM, Lin SH. Optical properties of oxygen vacancies in germanium oxides: quantum chemical modeling of photoexcitation and photoluminescence. J Phys Chem A. 2007;111(38):9479-85doi: 10.1021/jp072314f.
Zyubin, A. S., Mebel, A. M., & Lin, S. H. (2007). Optical properties of oxygen vacancies in germanium oxides: quantum chemical modeling of photoexcitation and photoluminescence. The journal of physical chemistry. A, 111(38), 9479-85. https://doi.org/10.1021/jp072314f
Zyubin, A S, et al. "Optical properties of oxygen vacancies in germanium oxides: quantum chemical modeling of photoexcitation and photoluminescence." The journal of physical chemistry. A vol. 111,38 (2007): 9479-85. doi: https://doi.org/10.1021/jp072314f
Zyubin AS, Mebel AM, Lin SH. Optical properties of oxygen vacancies in germanium oxides: quantum chemical modeling of photoexcitation and photoluminescence. J Phys Chem A. 2007 Sep 27;111(38):9479-85. doi: 10.1021/jp072314f. Epub 2007 Jul 13. PMID: 17629254.
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Control of nonadiabatic dissociation dynamics with the use of laser-induced wave packet interferences.

The Journal of chemical physics

Nagaya K, Lin SH, Nakamura H.
PMID: 17166025
J Chem Phys. 2006 Dec 07;125(21):214311. doi: 10.1063/1.2362819.

Based on wave packet interferences induced by a stationary laser field, a simple way of controlling nonadiabatic dissociation dynamics is proposed. We treat a simple two-state model of diatomic molecules. In this model, there exist two dissociative potential energy...

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Nagaya K, Lin SH, Nakamura H. Control of nonadiabatic dissociation dynamics with the use of laser-induced wave packet interferences. J Chem Phys. 2006;125(21):214311doi: 10.1063/1.2362819.
Nagaya, K., Lin, S. H., & Nakamura, H. (2006). Control of nonadiabatic dissociation dynamics with the use of laser-induced wave packet interferences. The Journal of chemical physics, 125(21), 214311. https://doi.org/10.1063/1.2362819
Nagaya, K, et al. "Control of nonadiabatic dissociation dynamics with the use of laser-induced wave packet interferences." The Journal of chemical physics vol. 125,21 (2006): 214311. doi: https://doi.org/10.1063/1.2362819
Nagaya K, Lin SH, Nakamura H. Control of nonadiabatic dissociation dynamics with the use of laser-induced wave packet interferences. J Chem Phys. 2006 Dec 07;125(21):214311. doi: 10.1063/1.2362819. PMID: 17166025.
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Application of the singular perturbation method to reaction kinetics.

Proceedings of the National Academy of Sciences of the United States of America

Richardson W, Volk L, Lau KH, Lin SH, Eyring H.
PMID: 16592088
Proc Natl Acad Sci U S A. 1973 May;70(5):1588-92. doi: 10.1073/pnas.70.5.1588.

The purpose of this paper is to show how to apply the singular perturbation method to the rate equations in reaction kinetics that involve different time scales. The Lindemann scheme has been chosen for illustration, and the steady-state and...

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Richardson W, Volk L, Lau KH, et al. Application of the singular perturbation method to reaction kinetics. Proc Natl Acad Sci U S A. 1973;70(5):1588-92doi: 10.1073/pnas.70.5.1588.
Richardson, W., Volk, L., Lau, K. H., Lin, S. H., & Eyring, H. (1973). Application of the singular perturbation method to reaction kinetics. Proceedings of the National Academy of Sciences of the United States of America, 70(5), 1588-92. https://doi.org/10.1073/pnas.70.5.1588
Richardson, W, et al. "Application of the singular perturbation method to reaction kinetics." Proceedings of the National Academy of Sciences of the United States of America vol. 70,5 (1973): 1588-92. doi: https://doi.org/10.1073/pnas.70.5.1588
Richardson W, Volk L, Lau KH, Lin SH, Eyring H. Application of the singular perturbation method to reaction kinetics. Proc Natl Acad Sci U S A. 1973 May;70(5):1588-92. doi: 10.1073/pnas.70.5.1588. PMID: 16592088; PMCID: PMC433548.
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Investigation of the composition and formation constant of molecular complexes.

Proceedings of the National Academy of Sciences of the United States of America

Sahai R, Loper GL, Lin SH, Eyring H.
PMID: 16592155
Proc Natl Acad Sci U S A. 1974 Apr;71(4):1499-503. doi: 10.1073/pnas.71.4.1499.

It has been the purpose of the present paper to investigate and explore the conditions under which the linear relation between Delta/C(D) (0) and Delta in the Hanna-Ashbaugh-Foster-Fyfe equation for the evaluation of equilibrium constants holds, (C(D) (0) is...

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Sahai R, Loper GL, Lin SH, et al. Investigation of the composition and formation constant of molecular complexes. Proc Natl Acad Sci U S A. 1974;71(4):1499-503doi: 10.1073/pnas.71.4.1499.
Sahai, R., Loper, G. L., Lin, S. H., & Eyring, H. (1974). Investigation of the composition and formation constant of molecular complexes. Proceedings of the National Academy of Sciences of the United States of America, 71(4), 1499-503. https://doi.org/10.1073/pnas.71.4.1499
Sahai, R, et al. "Investigation of the composition and formation constant of molecular complexes." Proceedings of the National Academy of Sciences of the United States of America vol. 71,4 (1974): 1499-503. doi: https://doi.org/10.1073/pnas.71.4.1499
Sahai R, Loper GL, Lin SH, Eyring H. Investigation of the composition and formation constant of molecular complexes. Proc Natl Acad Sci U S A. 1974 Apr;71(4):1499-503. doi: 10.1073/pnas.71.4.1499. PMID: 16592155; PMCID: PMC388257.
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Effect of displacement and distortion of potential energy surfaces and overlapping resonances of electronic transitions on surface-enhanced Raman scattering: models and ab initio theoretical calculation.

The Journal of chemical physics

Lee MT, Wu DY, Tian ZQ, Lin SH.
PMID: 15836174
J Chem Phys. 2005 Mar 01;122(9):094719. doi: 10.1063/1.1859283.

A previously developed theory for the temperature-dependent resonance Raman scattering is used to study the surface-enhanced Raman scattering. Two models, the displaced oscillator model and the displaced-distorted oscillator model, based on the harmonic potential energy surfaces are carried out...

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Lee MT, Wu DY, Tian ZQ, et al. Effect of displacement and distortion of potential energy surfaces and overlapping resonances of electronic transitions on surface-enhanced Raman scattering: models and ab initio theoretical calculation. J Chem Phys. 2005;122(9):094719doi: 10.1063/1.1859283.
Lee, M. T., Wu, D. Y., Tian, Z. Q., & Lin, S. H. (2005). Effect of displacement and distortion of potential energy surfaces and overlapping resonances of electronic transitions on surface-enhanced Raman scattering: models and ab initio theoretical calculation. The Journal of chemical physics, 122(9), 094719. https://doi.org/10.1063/1.1859283
Lee, M T, et al. "Effect of displacement and distortion of potential energy surfaces and overlapping resonances of electronic transitions on surface-enhanced Raman scattering: models and ab initio theoretical calculation." The Journal of chemical physics vol. 122,9 (2005): 094719. doi: https://doi.org/10.1063/1.1859283
Lee MT, Wu DY, Tian ZQ, Lin SH. Effect of displacement and distortion of potential energy surfaces and overlapping resonances of electronic transitions on surface-enhanced Raman scattering: models and ab initio theoretical calculation. J Chem Phys. 2005 Mar 01;122(9):094719. doi: 10.1063/1.1859283. PMID: 15836174.
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Nanowire single-electron memory.

Nano letters

Thelander C, Nilsson HA, Jensen LE, Samuelson L.
PMID: 15826100
Nano Lett. 2005 Apr;5(4):635-8. doi: 10.1021/nl050006s.

We demonstrate storage of electrons in semiconductor nanowires epitaxially grown from Au nanoparticles. The nanowires contain multiple tunnel junctions (MTJs) of InP barriers and InAs quantum dots designed such that the metal seed particles act as storage nodes. By...

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Thelander C, Nilsson HA, Jensen LE, et al. Nanowire single-electron memory. Nano Lett. 2005;5(4):635-8doi: 10.1021/nl050006s.
Thelander, C., Nilsson, H. A., Jensen, L. E., & Samuelson, L. (2005). Nanowire single-electron memory. Nano letters, 5(4), 635-8. https://doi.org/10.1021/nl050006s
Thelander, Claes, et al. "Nanowire single-electron memory." Nano letters vol. 5,4 (2005): 635-8. doi: https://doi.org/10.1021/nl050006s
Thelander C, Nilsson HA, Jensen LE, Samuelson L. Nanowire single-electron memory. Nano Lett. 2005 Apr;5(4):635-8. doi: 10.1021/nl050006s. PMID: 15826100.
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Dermoid cyst of the urinary bladder as a differential diagnosis of bladder calculus: a case report.

Journal of medical case reports

Okeke LI, Ogun GO, Etukakpan BR, Iyama A, Adeoye AO, Duduyemi BM.
PMID: 17592652
J Med Case Rep. 2007 Jun 26;1:32. doi: 10.1186/1752-1947-1-32.

Dermoid cysts are extremely rare in the urinary bladder and can pose a diagnostic dilemma to both the Urologist and the Histopathologist. Only a few cases were found documented and cited in PubMed. We present a case of dermoid...

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Okeke LI, Ogun GO, Etukakpan BR, et al. Dermoid cyst of the urinary bladder as a differential diagnosis of bladder calculus: a case report. J Med Case Rep. 2007;1:32doi: 10.1186/1752-1947-1-32.
Okeke, L. I., Ogun, G. O., Etukakpan, B. R., Iyama, A., Adeoye, A. O., & Duduyemi, B. M. (2007). Dermoid cyst of the urinary bladder as a differential diagnosis of bladder calculus: a case report. Journal of medical case reports, 132. https://doi.org/10.1186/1752-1947-1-32
Okeke, Linus I, et al. "Dermoid cyst of the urinary bladder as a differential diagnosis of bladder calculus: a case report." Journal of medical case reports vol. 1 (2007): 32. doi: https://doi.org/10.1186/1752-1947-1-32
Okeke LI, Ogun GO, Etukakpan BR, Iyama A, Adeoye AO, Duduyemi BM. Dermoid cyst of the urinary bladder as a differential diagnosis of bladder calculus: a case report. J Med Case Rep. 2007 Jun 26;1:32. doi: 10.1186/1752-1947-1-32. PMID: 17592652; PMCID: PMC1920516.
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Optimal conditions for thermal fixing of volume holograms in Fe:LiNbO3 crystals.

Applied optics

Hsieh CR, Lin SH, Hsu KY, Hsieh TC, Chiou A, Hong J.
PMID: 18324137
Appl Opt. 1999 Oct 10;38(29):6141-51. doi: 10.1364/ao.38.006141.

We analyze and compare two typical recording and thermal fixing procedures of a volume hologram in a Fe:LiNbO(3) crystal (low-high-low procedure and high-low procedure). We consider the kinetics of the recording, compensating, and developing processes by taking into account...

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Hsieh CR, Lin SH, Hsu KY, et al. Optimal conditions for thermal fixing of volume holograms in Fe:LiNbO3 crystals. Appl Opt. 1999;38(29):6141-51doi: 10.1364/ao.38.006141.
Hsieh, C. R., Lin, S. H., Hsu, K. Y., Hsieh, T. C., Chiou, A., & Hong, J. (1999). Optimal conditions for thermal fixing of volume holograms in Fe:LiNbO3 crystals. Applied optics, 38(29), 6141-51. https://doi.org/10.1364/ao.38.006141
Hsieh, C R, et al. "Optimal conditions for thermal fixing of volume holograms in Fe:LiNbO3 crystals." Applied optics vol. 38,29 (1999): 6141-51. doi: https://doi.org/10.1364/ao.38.006141
Hsieh CR, Lin SH, Hsu KY, Hsieh TC, Chiou A, Hong J. Optimal conditions for thermal fixing of volume holograms in Fe:LiNbO3 crystals. Appl Opt. 1999 Oct 10;38(29):6141-51. doi: 10.1364/ao.38.006141. PMID: 18324137.
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Photodissociation dynamics of ethyltoluene and p-fluoroethylbenzene at 193 and 248 nm.

The journal of physical chemistry. A

Huang CL, Dyakov YA, Lin SH, Lee YT, Ni CK.
PMID: 16833850
J Phys Chem A. 2005 Jun 16;109(23):4995-9. doi: 10.1021/jp050571j.

Photodissociation of jet-cooled o-, m-, and p-ethyltoluene and p-fluoroethylbenzene at both 193 and 248 nm was studied separately using vacuum ultraviolet photoionization/multimass ion imaging techniques. Dissociation occurs exclusively through alkyl chain C-C bond cleavage. The measured photofragment translational energy...

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Huang CL, Dyakov YA, Lin SH, et al. Photodissociation dynamics of ethyltoluene and p-fluoroethylbenzene at 193 and 248 nm. J Phys Chem A. 2005;109(23):4995-9doi: 10.1021/jp050571j.
Huang, C. L., Dyakov, Y. A., Lin, S. H., Lee, Y. T., & Ni, C. K. (2005). Photodissociation dynamics of ethyltoluene and p-fluoroethylbenzene at 193 and 248 nm. The journal of physical chemistry. A, 109(23), 4995-9. https://doi.org/10.1021/jp050571j
Huang, Cheng-Liang, et al. "Photodissociation dynamics of ethyltoluene and p-fluoroethylbenzene at 193 and 248 nm." The journal of physical chemistry. A vol. 109,23 (2005): 4995-9. doi: https://doi.org/10.1021/jp050571j
Huang CL, Dyakov YA, Lin SH, Lee YT, Ni CK. Photodissociation dynamics of ethyltoluene and p-fluoroethylbenzene at 193 and 248 nm. J Phys Chem A. 2005 Jun 16;109(23):4995-9. doi: 10.1021/jp050571j. PMID: 16833850.
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Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states.

The Journal of chemical physics

Zyubina TS, Dyakov YA, Lin SH, Bandrauk AD, Mebel AM.
PMID: 16223301
J Chem Phys. 2005 Oct 01;123(13):134320. doi: 10.1063/1.2050649.

Ab initio calculations employing the configuration interaction method including Davidson's corrections for quadruple excitations have been carried out to unravel the dissociation mechanism of acetylene dication in various electronic states and to elucidate ultrafast acetylene-vinylidene isomerization recently observed experimentally....

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Zyubina TS, Dyakov YA, Lin SH, et al. Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states. J Chem Phys. 2005;123(13):134320doi: 10.1063/1.2050649.
Zyubina, T. S., Dyakov, Y. A., Lin, S. H., Bandrauk, A. D., & Mebel, A. M. (2005). Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states. The Journal of chemical physics, 123(13), 134320. https://doi.org/10.1063/1.2050649
Zyubina, T S, et al. "Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states." The Journal of chemical physics vol. 123,13 (2005): 134320. doi: https://doi.org/10.1063/1.2050649
Zyubina TS, Dyakov YA, Lin SH, Bandrauk AD, Mebel AM. Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states. J Chem Phys. 2005 Oct 01;123(13):134320. doi: 10.1063/1.2050649. PMID: 16223301.
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Showing 1 to 12 of 215 entries