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Physical Chemistry Chemical Physics : PCCP
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October 16, 2009
The interplay of van der Waals and weak chemical forces in the adsorption of salicylic acid on NaCl(001)
Wei Chen, Christoph Tegenkamp, Herbert Pfnür, et al.
The Journal of Physical Chemistry Letters
|
August 15, 2015
Low-Cost Quantum Chemical Methods for Noncovalent Interactions
Jan Gerit Brandenburg, Manuel Hochheim, Thomas Bredow, et al.
Chemical Reviews
|
June 19, 2010
Route to novel auxin: auxin chemical space toward biological correlation carriers
Noel Ferro, Thomas Bredow, Hans-Jorg Jacobsen, et al.
Physical Review Letters
|
October 13, 2007
Enhanced conductivity at the interface of Li2O:B2O3 nanocomposites: atomistic models
Mazharul M Islam, Thomas Bredow, Sylvio Indris, et al.
Journal of Computational Chemistry
|
May 15, 2008
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations
Florian Janetzko, Thomas Bredow, Gerald Geudtner, et al.
ACS Omega
|
August 29, 2019
Influence of Spin State and Cation Distribution on Stability and Electronic Properties of Ternary Transition-Metal Oxides
Anna C Ulpe, Katharina C L Bauerfeind, Thomas Bredow
Journal of Chemical Theory and Computation
|
November 24, 2015
Analytical Gradients for the MSINDO-sCIS and MSINDO-UCIS Method: Theory, Implementation, Benchmarks, and Examples
Immanuel Gadaczek, Katharina Krause, Kim Julia Hintze, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
MSINDO-sCIS: A New Method for the Calculation of Excited States of Large Molecules
Immanuel Gadaczek, Katharina Krause, Kim Julia Hintze, et al.
The Journal of Physical Chemistry Letters
|
August 22, 2015
Insights into Li(+) Migration Pathways in α-Li3VF6: A First-Principles Investigation
Mazharul M Islam, Martin Wilkening, Paul Heitjans, et al.
Journal of Computational Chemistry
|
June 12, 2012
Implementation of empirical dispersion corrections to density functional theory for periodic systems
Werner Reckien, Florian Janetzko, Michael F Peintinger, et al.
Page
of 10
Search research articles
Search
Showing results (51-60 of 98) with videos related to
Sort By:
Page
of 10
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2009
The interplay of van der Waals and weak chemical forces in the adsorption of salicylic acid on NaCl(001)
Wei Chen, Christoph Tegenkamp, Herbert Pfnür, et al.
The Journal of Physical Chemistry Letters
|
August 15, 2015
Low-Cost Quantum Chemical Methods for Noncovalent Interactions
Jan Gerit Brandenburg, Manuel Hochheim, Thomas Bredow, et al.
Chemical Reviews
|
June 19, 2010
Route to novel auxin: auxin chemical space toward biological correlation carriers
Noel Ferro, Thomas Bredow, Hans-Jorg Jacobsen, et al.
Physical Review Letters
|
October 13, 2007
Enhanced conductivity at the interface of Li2O:B2O3 nanocomposites: atomistic models
Mazharul M Islam, Thomas Bredow, Sylvio Indris, et al.
Journal of Computational Chemistry
|
May 15, 2008
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations
Florian Janetzko, Thomas Bredow, Gerald Geudtner, et al.
ACS Omega
|
August 29, 2019
Influence of Spin State and Cation Distribution on Stability and Electronic Properties of Ternary Transition-Metal Oxides
Anna C Ulpe, Katharina C L Bauerfeind, Thomas Bredow
Journal of Chemical Theory and Computation
|
November 24, 2015
Analytical Gradients for the MSINDO-sCIS and MSINDO-UCIS Method: Theory, Implementation, Benchmarks, and Examples
Immanuel Gadaczek, Katharina Krause, Kim Julia Hintze, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
MSINDO-sCIS: A New Method for the Calculation of Excited States of Large Molecules
Immanuel Gadaczek, Katharina Krause, Kim Julia Hintze, et al.
The Journal of Physical Chemistry Letters
|
August 22, 2015
Insights into Li(+) Migration Pathways in α-Li3VF6: A First-Principles Investigation
Mazharul M Islam, Martin Wilkening, Paul Heitjans, et al.
Journal of Computational Chemistry
|
June 12, 2012
Implementation of empirical dispersion corrections to density functional theory for periodic systems
Werner Reckien, Florian Janetzko, Michael F Peintinger, et al.
Page
of 10