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Journal of Chemical Theory and Computation
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November 18, 2015
Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics
Rebecca K Carlson, Giovanni Li Manni, Andrew L Sonnenberger, et al.
Chemical Science
|
July 13, 2018
Separated-pair approximation and separated-pair pair-density functional theory
Samuel O Odoh, Giovanni Li Manni, Rebecca K Carlson, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 13, 2012
Assessing metal-metal multiple bonds in Cr-Cr, Mo-Mo, and W-W compounds and a hypothetical U-U compound: a quantum chemical study comparing DFT and multireference methods
Giovanni Li Manni, Allison L Dzubak, Abbas Mulla, et al.
Accounts of Chemical Research
|
December 22, 2016
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems
Laura Gagliardi, Donald G Truhlar, Giovanni Li Manni, et al.
Journal of Chemical Theory and Computation
|
December 23, 2015
Correction to Multiconfiguration Pair-Density Functional Theory
Giovanni Li Manni, Rebecca K Carlson, Sijie Luo, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Multiconfiguration Pair-Density Functional Theory
Giovanni Li Manni, Rebecca K Carlson, Sijie Luo, et al.
Inorganic Chemistry
|
April 22, 2014
Oxidative stretching of metal-metal bonds to their limits
David W Brogden, Yevgeniya Turov, Michael Nippe, et al.
Journal of the American Chemical Society
|
March 26, 2014
A two-coordinate manganese(0) complex with an unsupported Mn-Mg bond: allowing access to low coordinate homo- and heterobimetallic compounds
Jamie Hicks, Chad E Hoyer, Boujemaa Moubaraki, et al.
Inorganic Chemistry
|
February 1, 2012
Computational insights into uranium complexes supported by redox-active α-diimine ligands
Giovanni Li Manni, Justin R Walensky, Steven J Kraft, et al.
The Journal of Chemical Physics
|
July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J Anderson, Nick S Blunt, et al.
Page
of 5
Search research articles
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Showing results (31-40 of 44) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 18, 2015
Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics
Rebecca K Carlson, Giovanni Li Manni, Andrew L Sonnenberger, et al.
Chemical Science
|
July 13, 2018
Separated-pair approximation and separated-pair pair-density functional theory
Samuel O Odoh, Giovanni Li Manni, Rebecca K Carlson, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 13, 2012
Assessing metal-metal multiple bonds in Cr-Cr, Mo-Mo, and W-W compounds and a hypothetical U-U compound: a quantum chemical study comparing DFT and multireference methods
Giovanni Li Manni, Allison L Dzubak, Abbas Mulla, et al.
Accounts of Chemical Research
|
December 22, 2016
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems
Laura Gagliardi, Donald G Truhlar, Giovanni Li Manni, et al.
Journal of Chemical Theory and Computation
|
December 23, 2015
Correction to Multiconfiguration Pair-Density Functional Theory
Giovanni Li Manni, Rebecca K Carlson, Sijie Luo, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Multiconfiguration Pair-Density Functional Theory
Giovanni Li Manni, Rebecca K Carlson, Sijie Luo, et al.
Inorganic Chemistry
|
April 22, 2014
Oxidative stretching of metal-metal bonds to their limits
David W Brogden, Yevgeniya Turov, Michael Nippe, et al.
Journal of the American Chemical Society
|
March 26, 2014
A two-coordinate manganese(0) complex with an unsupported Mn-Mg bond: allowing access to low coordinate homo- and heterobimetallic compounds
Jamie Hicks, Chad E Hoyer, Boujemaa Moubaraki, et al.
Inorganic Chemistry
|
February 1, 2012
Computational insights into uranium complexes supported by redox-active α-diimine ligands
Giovanni Li Manni, Justin R Walensky, Steven J Kraft, et al.
The Journal of Chemical Physics
|
July 28, 2020
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J Anderson, Nick S Blunt, et al.
Page
of 5