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The Journal of Chemical Physics
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June 25, 2009
Development and assessment of a short-range meta-GGA functional
Erich Goll, Matthias Ernst, Franzeska Moegle-Hofacker, et al.
ACS Nano
|
October 13, 2020
Quantification of Competing Magnetic States and Switching Pathways in Curved Nanowires by Direct Dynamic Imaging
Daniel Schönke, Robert M Reeve, Hermann Stoll, et al.
The Journal of Chemical Physics
|
April 7, 2007
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd
Kirk A Peterson, Detlev Figgen, Michael Dolg, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water
Ricardo A Mata, Hermann Stoll, B J Costa Cabral
The Journal of Physical Chemistry. A
|
October 24, 2009
Accurate potential energy surface and calculated spectroscopic properties for CdH2 isotopomers
Peter Sebald, Rainer Oswald, Peter Botschwina, et al.
The Journal of Chemical Physics
|
October 26, 2010
Communication: Bond length alternation of conjugated oligomers: Another step on the fifth rung of Perdew's ladder of functional
Sylvain Chabbal, Denis Jacquemin, Carlo Adamo, et al.
The Journal of Physical Chemistry. A
|
December 22, 2006
On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions
Kirk A Peterson, Benjamin C Shepler, Detlev Figgen, et al.
The Journal of Chemical Physics
|
September 17, 2015
Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag2/graphene
María Pilar de Lara-Castells, Alexander O Mitrushchenkov, Hermann Stoll
Inorganic Chemistry
|
August 20, 2003
Replacement of 2,2'-bipyridine by 1,4-diazabutadiene acceptor ligands: why the bathochromic shift for [(N empty set N)IrCl(C5Me5)]+ complexes but the hypsochromic shift for (N empty set N)Ir(C5Me5)?
Stanislav Zális, Monika Sieger, Stefan Greulich, et al.
The Journal of Physical Chemistry. A
|
February 14, 2014
Assessing the performance of dispersionless and dispersion-accounting methods: helium interaction with cluster models of the TiO2(110) surface
María Pilar de Lara-Castells, Hermann Stoll, Alexander O Mitrushchenkov
Page
of 7
Search research articles
Search
Showing results (21-30 of 64) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
June 25, 2009
Development and assessment of a short-range meta-GGA functional
Erich Goll, Matthias Ernst, Franzeska Moegle-Hofacker, et al.
ACS Nano
|
October 13, 2020
Quantification of Competing Magnetic States and Switching Pathways in Curved Nanowires by Direct Dynamic Imaging
Daniel Schönke, Robert M Reeve, Hermann Stoll, et al.
The Journal of Chemical Physics
|
April 7, 2007
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd
Kirk A Peterson, Detlev Figgen, Michael Dolg, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of Water
Ricardo A Mata, Hermann Stoll, B J Costa Cabral
The Journal of Physical Chemistry. A
|
October 24, 2009
Accurate potential energy surface and calculated spectroscopic properties for CdH2 isotopomers
Peter Sebald, Rainer Oswald, Peter Botschwina, et al.
The Journal of Chemical Physics
|
October 26, 2010
Communication: Bond length alternation of conjugated oligomers: Another step on the fifth rung of Perdew's ladder of functional
Sylvain Chabbal, Denis Jacquemin, Carlo Adamo, et al.
The Journal of Physical Chemistry. A
|
December 22, 2006
On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions
Kirk A Peterson, Benjamin C Shepler, Detlev Figgen, et al.
The Journal of Chemical Physics
|
September 17, 2015
Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag2/graphene
María Pilar de Lara-Castells, Alexander O Mitrushchenkov, Hermann Stoll
Inorganic Chemistry
|
August 20, 2003
Replacement of 2,2'-bipyridine by 1,4-diazabutadiene acceptor ligands: why the bathochromic shift for [(N empty set N)IrCl(C5Me5)]+ complexes but the hypsochromic shift for (N empty set N)Ir(C5Me5)?
Stanislav Zális, Monika Sieger, Stefan Greulich, et al.
The Journal of Physical Chemistry. A
|
February 14, 2014
Assessing the performance of dispersionless and dispersion-accounting methods: helium interaction with cluster models of the TiO2(110) surface
María Pilar de Lara-Castells, Hermann Stoll, Alexander O Mitrushchenkov
Page
of 7