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The Journal of Chemical Physics
|
July 21, 2007
Nonlocal Wigner-like correlation energy density functional: parametrization and tests on two-electron systems
Jacob Katriel, Michael Bauer, Michael Springborg, et al.
Journal of Molecular Modeling
|
July 5, 2018
Structure and stability of propellane-like E<math> </math>
Ann-Christin Andres, Julian Beckmann, Lukas Klemmer, et al.
Molecules (Basel, Switzerland)
|
April 13, 2023
Properties of Naked Silver Clusters with Up to 100 Atoms as Found with Embedded-Atom and Density-Functional Calculations
Shivangi Garg, Navjot Kaur, Neetu Goel, et al.
Journal of Molecular Modeling
|
July 7, 2022
Efficient model photosensitizers based on metallocenyl complexes with thiophene-N = N-pyrimidine as π-conjugated bridge and cyanoacrylate as an anchoring group: a density functional theory study
Amina C Berrekhchi-Berrahma, Michael Springborg, Meijuan Zhou, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 4, 2020
Competition between tubular, planar and cage geometries: a complete picture of structural evolution of B<sub>n</sub> (n = 31-50) clusters
Xue Wu, Linwei Sai, Si Zhou, et al.
Organic & Biomolecular Chemistry
|
May 22, 2015
Site-specific conjugation of 8-ethynyl-BODIPY to a protein by [2 + 3] cycloaddition
Marcel Albrecht, Andreas Lippach, Matthias P Exner, et al.
Inorganic Chemistry
|
December 31, 2013
Electronic structure of ternary rhodium hydrides with lithium and magnesium
Jonas Nils Becker, Jessica Bauer, Andreas Giehr, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 14, 2019
Ultranarrow heterojunctions of armchair-graphene nanoribbons as resonant-tunnelling devices
F Sánchez-Ochoa, Jie Zhang, Yueyao Du, et al.
Journal of Molecular Modeling
|
October 23, 2012
Density functional conformational study of 2-O-sulfated 3,6 anhydro-α-D-galactose and of neo-κ- and ι-carrabiose molecules in gas phase and water
Noreya Bestaoui-Berrekhchi-Berrahma, Philippe Derreumaux, Majda Sekkal-Rahal, et al.
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Search research articles
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Showing results (41-50 of 49) with videos related to
Sort By:
Page
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You have reached the last page of results.
This site can display upto 49 results.
The Journal of Chemical Physics
|
July 21, 2007
Nonlocal Wigner-like correlation energy density functional: parametrization and tests on two-electron systems
Jacob Katriel, Michael Bauer, Michael Springborg, et al.
Journal of Molecular Modeling
|
July 5, 2018
Structure and stability of propellane-like E<math> </math>
Ann-Christin Andres, Julian Beckmann, Lukas Klemmer, et al.
Molecules (Basel, Switzerland)
|
April 13, 2023
Properties of Naked Silver Clusters with Up to 100 Atoms as Found with Embedded-Atom and Density-Functional Calculations
Shivangi Garg, Navjot Kaur, Neetu Goel, et al.
Journal of Molecular Modeling
|
July 7, 2022
Efficient model photosensitizers based on metallocenyl complexes with thiophene-N = N-pyrimidine as π-conjugated bridge and cyanoacrylate as an anchoring group: a density functional theory study
Amina C Berrekhchi-Berrahma, Michael Springborg, Meijuan Zhou, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 4, 2020
Competition between tubular, planar and cage geometries: a complete picture of structural evolution of B<sub>n</sub> (n = 31-50) clusters
Xue Wu, Linwei Sai, Si Zhou, et al.
Organic & Biomolecular Chemistry
|
May 22, 2015
Site-specific conjugation of 8-ethynyl-BODIPY to a protein by [2 + 3] cycloaddition
Marcel Albrecht, Andreas Lippach, Matthias P Exner, et al.
Inorganic Chemistry
|
December 31, 2013
Electronic structure of ternary rhodium hydrides with lithium and magnesium
Jonas Nils Becker, Jessica Bauer, Andreas Giehr, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 14, 2019
Ultranarrow heterojunctions of armchair-graphene nanoribbons as resonant-tunnelling devices
F Sánchez-Ochoa, Jie Zhang, Yueyao Du, et al.
Journal of Molecular Modeling
|
October 23, 2012
Density functional conformational study of 2-O-sulfated 3,6 anhydro-α-D-galactose and of neo-κ- and ι-carrabiose molecules in gas phase and water
Noreya Bestaoui-Berrekhchi-Berrahma, Philippe Derreumaux, Majda Sekkal-Rahal, et al.
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of 5