Search research articles
Contact Us
Filters
Showing results (1-10 of 209) with videos related to
Page
of 21
Sort By:
Chemical Communications (Cambridge, England)
|
September 10, 2013
Chemical bonding involving d-orbitals
Thomas R Cundari
Inorganic Chemistry
|
September 23, 2017
Methane C-H Activation via 3d Metal Methoxide Complexes with Potentially Redox-Noninnocent Pincer Ligands: A Density Functional Theory Study
Ahmad Najafian, Thomas R Cundari
The Journal of Physical Chemistry. A
|
August 28, 2019
Computational Mechanistic Study of Electro-Oxidation of Ammonia to N<sub>2</sub> by Homogenous Ruthenium and Iron Complexes
Ahmad Najafian, Thomas R Cundari
The Journal of Physical Chemistry. A
|
October 7, 2020
DFT Calculations Investigate Competing Pathways to Form Dimeric Neopentylpalladium(II) Amido Complexes: The Critical Importance of Dispersion
Quan Jiang, Thomas R Cundari
Inorganic Chemistry
|
September 26, 2017
Control of C-H Bond Activation by Mo-Oxo Complexes: pK<sub>a</sub> or Bond Dissociation Free Energy (BDFE)?
Azadeh Nazemi, Thomas R Cundari
The Journal of Physical Chemistry. A
|
June 27, 2017
Effect of Ancillary Ligands (A) on Oxidative Addition of CH<sub>4</sub> to Rhenium(III) Complexes: A = B, Al, CH, SiH, N, and P Using MP2, CCSD(T), and MCSCF Methods
Riffat Parveen, Thomas R Cundari
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2020
Cyclic (alkyl)(amino)carbenes in organic and organometallic methane C-H activation: a DFT and MCSCF study
Zhicheng Sun, Thomas R Cundari
Inorganic Chemistry
|
August 27, 2019
Effect of Appended S-Block Metal Ion Crown Ethers on Redox Properties and Catalytic Activity of Mn-Nitride Schiff Base Complexes: Methane Activation
Ahmad Najafian, Thomas R Cundari
The Journal of Physical Chemistry. A
|
September 26, 2019
Importance of Nitrogen-Hydrogen Bond p<i>K</i><sub>a</sub> in the Catalytic Coupling of Alkenes and Amines by Amidate Tantalum Complexes: A Computational Study
Azadeh Nazemi, Thomas R Cundari
Journal of Chemical Theory and Computation
|
June 28, 2024
Integrated Study on Methane Activation: Exploring Main Group Frustrated Lewis Pairs through Density Functional Theory, Machine Learning, and Machine-Learned Force Fields
Ignacio Migliaro, Thomas R Cundari
Page
of 21
Search research articles
Search
Showing results (1-10 of 209) with videos related to
Sort By:
Page
of 21
Chemical Communications (Cambridge, England)
|
September 10, 2013
Chemical bonding involving d-orbitals
Thomas R Cundari
Inorganic Chemistry
|
September 23, 2017
Methane C-H Activation via 3d Metal Methoxide Complexes with Potentially Redox-Noninnocent Pincer Ligands: A Density Functional Theory Study
Ahmad Najafian, Thomas R Cundari
The Journal of Physical Chemistry. A
|
August 28, 2019
Computational Mechanistic Study of Electro-Oxidation of Ammonia to N<sub>2</sub> by Homogenous Ruthenium and Iron Complexes
Ahmad Najafian, Thomas R Cundari
The Journal of Physical Chemistry. A
|
October 7, 2020
DFT Calculations Investigate Competing Pathways to Form Dimeric Neopentylpalladium(II) Amido Complexes: The Critical Importance of Dispersion
Quan Jiang, Thomas R Cundari
Inorganic Chemistry
|
September 26, 2017
Control of C-H Bond Activation by Mo-Oxo Complexes: pK<sub>a</sub> or Bond Dissociation Free Energy (BDFE)?
Azadeh Nazemi, Thomas R Cundari
The Journal of Physical Chemistry. A
|
June 27, 2017
Effect of Ancillary Ligands (A) on Oxidative Addition of CH<sub>4</sub> to Rhenium(III) Complexes: A = B, Al, CH, SiH, N, and P Using MP2, CCSD(T), and MCSCF Methods
Riffat Parveen, Thomas R Cundari
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2020
Cyclic (alkyl)(amino)carbenes in organic and organometallic methane C-H activation: a DFT and MCSCF study
Zhicheng Sun, Thomas R Cundari
Inorganic Chemistry
|
August 27, 2019
Effect of Appended S-Block Metal Ion Crown Ethers on Redox Properties and Catalytic Activity of Mn-Nitride Schiff Base Complexes: Methane Activation
Ahmad Najafian, Thomas R Cundari
The Journal of Physical Chemistry. A
|
September 26, 2019
Importance of Nitrogen-Hydrogen Bond p<i>K</i><sub>a</sub> in the Catalytic Coupling of Alkenes and Amines by Amidate Tantalum Complexes: A Computational Study
Azadeh Nazemi, Thomas R Cundari
Journal of Chemical Theory and Computation
|
June 28, 2024
Integrated Study on Methane Activation: Exploring Main Group Frustrated Lewis Pairs through Density Functional Theory, Machine Learning, and Machine-Learned Force Fields
Ignacio Migliaro, Thomas R Cundari
Page
of 21