Energetics, structures, vibrational frequencies, vibrational absorption, vibrational circular dichroism and Raman intensities of Leu-enkephalin
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Conference Proceeding
Direct Determination of Absolute Configuration of Methyl-Substituted Phenyloxiranes: Combined Experimental and Theoretical Approach
Fristrup, Peter, Lassen, Peter R, Johannessen, Christian, Tanner, David, Norrby, Per-Ola, Jalkanen, K. J, Hemmingsen, Lars
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.07.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.07.2006)
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Role of hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N′-methylamide in aqueous solution: a combined theoretical and experimental approach
Jalkanen, K. J., Degtyarenko, I. M., Nieminen, R. M., Cao, X., Nafie, L. A., Zhu, F., Barron, L. D.
Published in Theoretical chemistry accounts (01.01.2008)
Published in Theoretical chemistry accounts (01.01.2008)
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A combined theoretical and experimental study of the structure and vibrational absorption, vibrational circular dichroism, Raman and Raman optical activity spectra of the L-histidine zwitterion
Deplazes, E., van Bronswijk, W., Zhu, F., Barron, L. D., Ma, S., Nafie, L. A., Jalkanen, K. J.
Published in Theoretical chemistry accounts (01.01.2008)
Published in Theoretical chemistry accounts (01.01.2008)
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Theory of vibrational rotational strengths: comparison of a priori theory and approximate models
Stephens, P. J, Jalkanen, K. J, Kawiecki, R. W
Published in Journal of the American Chemical Society (01.08.1990)
Published in Journal of the American Chemical Society (01.08.1990)
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Ab initio calculation of vibrational circular dichroism spectra using large basis set MP2 force fields
Stephens, P.J., Chabalowski, C.F., Devlin, F.J., Jalkanen, K.J.
Published in Chemical physics letters (29.07.1994)
Published in Chemical physics letters (29.07.1994)
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Pim-1 Kinase and p100 Cooperate to Enhance c-Myb Activity
Leverson, Joel D, Koskinen, Päivi J, Orrico, Frank C, Rainio, Eeva-Marja, Jalkanen, Katriina J, Dash, Ajeeta B, Eisenman, Robert N, Ness, Scott A
Published in Molecular cell (01.10.1998)
Published in Molecular cell (01.10.1998)
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Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: A combined theoretical and experimental approach
Jalkanen, K. J., Würtz Jürgensen, V., Claussen, A., Rahim, A., Jensen, G. M., Wade, R. C., Nardi, F., Jung, C., Degtyarenko, I. M., Nieminen, R. M., Herrmann, F., Knapp-Mohammady, M., Niehaus, T. A., Frimand, K., Suhai, S.
Published in International journal of quantum chemistry (2006)
Published in International journal of quantum chemistry (2006)
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Vibrational analysis of various isotopomers of L-Alanyl-L-Alanine in aqueous solution: Vibrational absorption, vibrational circular dichroism, Raman, and Raman optical activity spectra
Jalkanen, K. J., Nieminen, R. M., Knapp-Mohammady, M., Suhai, S.
Published in International journal of quantum chemistry (2003)
Published in International journal of quantum chemistry (2003)
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A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine
Jalkanen, K.J, Nieminen, R.M, Frimand, K, Bohr, J, Bohr, H, Wade, R.C, Tajkhorshid, E, Suhai, S
Published in Chemical physics (01.04.2001)
Published in Chemical physics (01.04.2001)
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Efficient calculation of vibrational magnetic dipole transition moments and rotational strengths
Amos, R.D., Handy, N.C., Jalkanen, K.J., Stephens, P.J.
Published in Chemical physics letters (02.01.1987)
Published in Chemical physics letters (02.01.1987)
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