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Kestutis Aidas

Showing results (1-10 of 19) with videos related to

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Physical Chemistry Chemical Physics : PCCP|September 24, 2009
NMR and DFT study on media effects on proton transfer in hydrogen bonding: concept of molecular probe with an application to ionic and super-polar liquidsVytautas Balevicius, Zofia Gdaniec, Kestutis Aidas
Physical Chemistry Chemical Physics : PCCP|January 13, 2010
On the existence of the H3 tautomer of adenine in aqueous solution. Rationalizations based on hybrid quantum mechanics/molecular mechanics predictionsKestutis Aidas, Kurt V Mikkelsen, Jacob Kongsted
The Journal of Physical Chemistry. A|April 1, 2010
NMR and quantum chemistry study of mesoscopic effects in ionic liquidsVytautas Balevicius, Zofia Gdaniec, Kestutis Aidas, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 3, 2005
1H NMR and DFT study of proton exchange in heterogeneous structures of pyridine-N-oxide/HCl/DCl/H2OVytautas Balevicius, Kestutis Aidas, Jelena Tamuliene, et al.
The Journal of Physical Chemistry. B|February 21, 2007
Determination of critical indices by "slow" spectroscopy: NMR shifts by statistical thermodynamics and density functional theory calculationsVytautas Balevicius, Vytautas Juozapas Balevicius, Kestutis Aidas, et al.
The Journal of Physical Chemistry. B|March 12, 2011
Excitation energies in solution: the fully polarizable QM/MM/PCM methodArnfinn Hykkerud Steindal, Kenneth Ruud, Luca Frediani, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 14, 2012
NMR spin-spin coupling constants in polymethine dyes as polarity indicatorsN Arul Murugan, Kestutis Aidas, Jacob Kongsted, et al.
The Journal of Physical Chemistry. B|October 8, 2010
Modeling the structure and absorption spectra of stilbazolium merocyanine in polar and nonpolar solvents using hybrid QM/MM techniquesN Arul Murugan, Jacob Kongsted, Zilvinas Rinkevicius, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Coupled cluster calculation of the n --> pi* electronic transition of acetone in aqueous solutionKestutis Aidas, Jacob Kongsted, Anders Osted, et al.
Journal of Chemical Theory and Computation|December 2, 2015
On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen BondingJacob Kongsted, Kestutis Aidas, Kurt V Mikkelsen, et al.
Pageof 2

Showing results (1-10 of 19) with videos related to

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Pageof 2
Physical Chemistry Chemical Physics : PCCP|September 24, 2009
NMR and DFT study on media effects on proton transfer in hydrogen bonding: concept of molecular probe with an application to ionic and super-polar liquidsVytautas Balevicius, Zofia Gdaniec, Kestutis Aidas
Physical Chemistry Chemical Physics : PCCP|January 13, 2010
On the existence of the H3 tautomer of adenine in aqueous solution. Rationalizations based on hybrid quantum mechanics/molecular mechanics predictionsKestutis Aidas, Kurt V Mikkelsen, Jacob Kongsted
The Journal of Physical Chemistry. A|April 1, 2010
NMR and quantum chemistry study of mesoscopic effects in ionic liquidsVytautas Balevicius, Zofia Gdaniec, Kestutis Aidas, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|February 3, 2005
1H NMR and DFT study of proton exchange in heterogeneous structures of pyridine-N-oxide/HCl/DCl/H2OVytautas Balevicius, Kestutis Aidas, Jelena Tamuliene, et al.
The Journal of Physical Chemistry. B|February 21, 2007
Determination of critical indices by "slow" spectroscopy: NMR shifts by statistical thermodynamics and density functional theory calculationsVytautas Balevicius, Vytautas Juozapas Balevicius, Kestutis Aidas, et al.
The Journal of Physical Chemistry. B|March 12, 2011
Excitation energies in solution: the fully polarizable QM/MM/PCM methodArnfinn Hykkerud Steindal, Kenneth Ruud, Luca Frediani, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 14, 2012
NMR spin-spin coupling constants in polymethine dyes as polarity indicatorsN Arul Murugan, Kestutis Aidas, Jacob Kongsted, et al.
The Journal of Physical Chemistry. B|October 8, 2010
Modeling the structure and absorption spectra of stilbazolium merocyanine in polar and nonpolar solvents using hybrid QM/MM techniquesN Arul Murugan, Jacob Kongsted, Zilvinas Rinkevicius, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Coupled cluster calculation of the n --> pi* electronic transition of acetone in aqueous solutionKestutis Aidas, Jacob Kongsted, Anders Osted, et al.
Journal of Chemical Theory and Computation|December 2, 2015
On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen BondingJacob Kongsted, Kestutis Aidas, Kurt V Mikkelsen, et al.
Pageof 2