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Magdalena Pecul

Showing results (21-30 of 32) with videos related to

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Journal of Biomolecular NMR|March 18, 2005
A protein backbone psi and phi angle dependence of 2J(N(i),C alpha(i-1)): the new NMR experiment and quantum chemical calculationsWiktor Koźmiński, Igor Zhukov, Magdalena Pecul, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Theoretical studies of nuclear magnetic resonance parameters for the proton-exchange pathways in porphyrin and porphyceneHubert Cybulski, Magdalena Pecul, Trygve Helgaker, et al.
The Journal of Chemical Physics|January 11, 2005
Polarizable continuum model study of solvent effects on electronic circular dichroism parametersMagdalena Pecul, Domenico Marchesan, Kenneth Ruud, et al.
The Journal of Chemical Physics|September 4, 2007
Electronic circular dichroism of disulphide bridge: ab initio quantum-chemical calculationsWojciech Skomorowski, Magdalena Pecul, Paweł Sałek, et al.
The Journal of Physical Chemistry. B|March 28, 2013
Circular dichroism and optical rotation of lactamide and 2-aminopropanol in aqueous solutionAnna Pikulska, Kathrin H Hopmann, Julien Bloino, et al.
The Journal of Chemical Physics|March 25, 2006
High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: a comparison with density functional resultsMagdalena Pecul, Filip Pawłowski, Poul Jorgensen, et al.
Physical Chemistry Chemical Physics : PCCP|July 2, 2015
A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorptionMaciej Kamiński, Janusz Cukras, Magdalena Pecul, et al.
The Journal of Physical Chemistry. A|February 24, 2006
Solvent effects on Raman optical activity spectra calculated using the polarizable continuum modelMagdalena Pecul, Ewa Lamparska, Chiara Cappelli, et al.
The Journal of Physical Chemistry. B|February 4, 2015
Electronic circular dichroism of fluorescent proteins: a computational studyAnna Pikulska, Arnfinn Hykkerud Steindal, Maarten T P Beerepoot, et al.
The Journal of Physical Chemistry. B|March 23, 2011
Explicit versus implicit solvent modeling of Raman optical activity spectraKathrin H Hopmann, Kenneth Ruud, Magdalena Pecul, et al.
Pageof 4

Showing results (21-30 of 32) with videos related to

Sort By:
Pageof 4
Journal of Biomolecular NMR|March 18, 2005
A protein backbone psi and phi angle dependence of 2J(N(i),C alpha(i-1)): the new NMR experiment and quantum chemical calculationsWiktor Koźmiński, Igor Zhukov, Magdalena Pecul, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Theoretical studies of nuclear magnetic resonance parameters for the proton-exchange pathways in porphyrin and porphyceneHubert Cybulski, Magdalena Pecul, Trygve Helgaker, et al.
The Journal of Chemical Physics|January 11, 2005
Polarizable continuum model study of solvent effects on electronic circular dichroism parametersMagdalena Pecul, Domenico Marchesan, Kenneth Ruud, et al.
The Journal of Chemical Physics|September 4, 2007
Electronic circular dichroism of disulphide bridge: ab initio quantum-chemical calculationsWojciech Skomorowski, Magdalena Pecul, Paweł Sałek, et al.
The Journal of Physical Chemistry. B|March 28, 2013
Circular dichroism and optical rotation of lactamide and 2-aminopropanol in aqueous solutionAnna Pikulska, Kathrin H Hopmann, Julien Bloino, et al.
The Journal of Chemical Physics|March 25, 2006
High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: a comparison with density functional resultsMagdalena Pecul, Filip Pawłowski, Poul Jorgensen, et al.
Physical Chemistry Chemical Physics : PCCP|July 2, 2015
A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorptionMaciej Kamiński, Janusz Cukras, Magdalena Pecul, et al.
The Journal of Physical Chemistry. A|February 24, 2006
Solvent effects on Raman optical activity spectra calculated using the polarizable continuum modelMagdalena Pecul, Ewa Lamparska, Chiara Cappelli, et al.
The Journal of Physical Chemistry. B|February 4, 2015
Electronic circular dichroism of fluorescent proteins: a computational studyAnna Pikulska, Arnfinn Hykkerud Steindal, Maarten T P Beerepoot, et al.
The Journal of Physical Chemistry. B|March 23, 2011
Explicit versus implicit solvent modeling of Raman optical activity spectraKathrin H Hopmann, Kenneth Ruud, Magdalena Pecul, et al.
Pageof 4