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Physical Chemistry Chemical Physics : PCCP
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April 13, 2013
The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes
Andrew J Atkins, Matthias Bauer, Christoph R Jacob
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2015
High-resolution X-ray absorption spectroscopy of iron carbonyl complexes
Andrew J Atkins, Matthias Bauer, Christoph R Jacob
The Journal of Chemical Physics
|
June 30, 2007
Exact functional derivative of the nonadditive kinetic-energy bifunctional in the long-distance limit
Christoph R Jacob, S Maya Beyhan, Lucas Visscher
The Journal of Chemical Physics
|
December 5, 2012
Origin-independent calculation of quadrupole intensities in X-ray spectroscopy
Stephan Bernadotte, Andrew J Atkins, Christoph R Jacob
The Journal of Chemical Physics
|
December 27, 2005
Orbital-free embedding applied to the calculation of induced dipole moments in CO2...X (X = He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes
Christoph R Jacob, Tomasz A Wesolowski, Lucas Visscher
The Journal of Physical Chemistry. A
|
February 28, 2008
NMR solvent shifts of acetonitrile from frozen density embedding calculations
Rosa E Bulo, Christoph R Jacob, Lucas Visscher
Physical Chemistry Chemical Physics : PCCP
|
February 16, 2016
No need for external orthogonality in subsystem density-functional theory
Jan P Unsleber, Johannes Neugebauer, Christoph R Jacob
The Journal of Chemical Physics
|
June 22, 2015
Excitation energies from frozen-density embedding with accurate embedding potentials
Denis G Artiukhin, Christoph R Jacob, Johannes Neugebauer
Journal of Computational Chemistry
|
May 12, 2023
A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions
Johannes R Vornweg, Mario Wolter, Christoph R Jacob
The Journal of Physical Chemistry. A
|
June 15, 2010
Analysis of vibrational Raman optical activity signatures of the (TG)(N) and (GG)(N) conformations of isotactic polypropylene chains in terms of localized modes
Vincent Liégeois, Christoph R Jacob, Benoît Champagne, et al.
Page
of 9
Search research articles
Search
Showing results (31-40 of 81) with videos related to
Sort By:
Page
of 9
Physical Chemistry Chemical Physics : PCCP
|
April 13, 2013
The chemical sensitivity of X-ray spectroscopy: high energy resolution XANES versus X-ray emission spectroscopy of substituted ferrocenes
Andrew J Atkins, Matthias Bauer, Christoph R Jacob
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2015
High-resolution X-ray absorption spectroscopy of iron carbonyl complexes
Andrew J Atkins, Matthias Bauer, Christoph R Jacob
The Journal of Chemical Physics
|
June 30, 2007
Exact functional derivative of the nonadditive kinetic-energy bifunctional in the long-distance limit
Christoph R Jacob, S Maya Beyhan, Lucas Visscher
The Journal of Chemical Physics
|
December 5, 2012
Origin-independent calculation of quadrupole intensities in X-ray spectroscopy
Stephan Bernadotte, Andrew J Atkins, Christoph R Jacob
The Journal of Chemical Physics
|
December 27, 2005
Orbital-free embedding applied to the calculation of induced dipole moments in CO2...X (X = He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes
Christoph R Jacob, Tomasz A Wesolowski, Lucas Visscher
The Journal of Physical Chemistry. A
|
February 28, 2008
NMR solvent shifts of acetonitrile from frozen density embedding calculations
Rosa E Bulo, Christoph R Jacob, Lucas Visscher
Physical Chemistry Chemical Physics : PCCP
|
February 16, 2016
No need for external orthogonality in subsystem density-functional theory
Jan P Unsleber, Johannes Neugebauer, Christoph R Jacob
The Journal of Chemical Physics
|
June 22, 2015
Excitation energies from frozen-density embedding with accurate embedding potentials
Denis G Artiukhin, Christoph R Jacob, Johannes Neugebauer
Journal of Computational Chemistry
|
May 12, 2023
A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions
Johannes R Vornweg, Mario Wolter, Christoph R Jacob
The Journal of Physical Chemistry. A
|
June 15, 2010
Analysis of vibrational Raman optical activity signatures of the (TG)(N) and (GG)(N) conformations of isotactic polypropylene chains in terms of localized modes
Vincent Liégeois, Christoph R Jacob, Benoît Champagne, et al.
Page
of 9