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Journal of Chemical Theory and Computation
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November 24, 2015
Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
November 27, 2015
Molecules-in-Molecules: An Extrapolated Fragment-Based Approach for Accurate Calculations on Large Molecules and Materials
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
November 26, 2015
Theoretical Thermochemistry for Organic Molecules: Development of the Generalized Connectivity-Based Hierarchy
Raghunath O Ramabhadran, Krishnan Raghavachari
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2020
G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation
Sarah Maier, Bishnu Thapa, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
July 10, 2019
G4(MP2)-XK: A Variant of the G4(MP2)-6X Composite Method with Expanded Applicability for Main-Group Elements up to Radon
Bun Chan, Amir Karton, Krishnan Raghavachari
Nature Reviews. Neuroscience
|
February 16, 2012
Mechanisms of CaMKII action in long-term potentiation
John Lisman, Ryohei Yasuda, Sridhar Raghavachari
International Journal of Biological Macromolecules
|
October 30, 2020
Scale-up of non-toxic poly(butylene adipate-co-terephthalate)-Chitin based nanocomposite articles by injection moulding and 3D printing
Balaji Sadhasivam, Devi Ramamoorthy, Raghavachari Dhamodharan
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Hydrogen evolution from water using Mo-oxide clusters in the gas phase: DFT modeling of a complete catalytic cycle using a Mo<sub>2</sub>O<sub>4</sub><sup>-</sup>/Mo<sub>2</sub>O<sub>5</sub><sup>-</sup> cluster couple
Manisha Ray, Arjun Saha, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
April 16, 2019
Eliminating Systematic Errors in DFT via Connectivity-Based Hierarchy: Accurate Bond Dissociation Energies of Biodiesel Methyl Esters
Sibali Debnath, Arkajyoti Sengupta, Krishnan Raghavachari
International Journal of Biological Macromolecules
|
February 6, 2025
Facile chemical modification of solid alkaline lignin and chitosan via nucleophilic substitution with organohalides in the vapor phase
Km Shelly, Ravishankar Kartik, Raghavachari Dhamodharan
Page
of 31
Search research articles
Search
Showing results (71-80 of 305) with videos related to
Sort By:
Page
of 31
Journal of Chemical Theory and Computation
|
November 24, 2015
Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
November 27, 2015
Molecules-in-Molecules: An Extrapolated Fragment-Based Approach for Accurate Calculations on Large Molecules and Materials
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
November 26, 2015
Theoretical Thermochemistry for Organic Molecules: Development of the Generalized Connectivity-Based Hierarchy
Raghunath O Ramabhadran, Krishnan Raghavachari
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2020
G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation
Sarah Maier, Bishnu Thapa, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
July 10, 2019
G4(MP2)-XK: A Variant of the G4(MP2)-6X Composite Method with Expanded Applicability for Main-Group Elements up to Radon
Bun Chan, Amir Karton, Krishnan Raghavachari
Nature Reviews. Neuroscience
|
February 16, 2012
Mechanisms of CaMKII action in long-term potentiation
John Lisman, Ryohei Yasuda, Sridhar Raghavachari
International Journal of Biological Macromolecules
|
October 30, 2020
Scale-up of non-toxic poly(butylene adipate-co-terephthalate)-Chitin based nanocomposite articles by injection moulding and 3D printing
Balaji Sadhasivam, Devi Ramamoorthy, Raghavachari Dhamodharan
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Hydrogen evolution from water using Mo-oxide clusters in the gas phase: DFT modeling of a complete catalytic cycle using a Mo<sub>2</sub>O<sub>4</sub><sup>-</sup>/Mo<sub>2</sub>O<sub>5</sub><sup>-</sup> cluster couple
Manisha Ray, Arjun Saha, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
April 16, 2019
Eliminating Systematic Errors in DFT via Connectivity-Based Hierarchy: Accurate Bond Dissociation Energies of Biodiesel Methyl Esters
Sibali Debnath, Arkajyoti Sengupta, Krishnan Raghavachari
International Journal of Biological Macromolecules
|
February 6, 2025
Facile chemical modification of solid alkaline lignin and chitosan via nucleophilic substitution with organohalides in the vapor phase
Km Shelly, Ravishankar Kartik, Raghavachari Dhamodharan
Page
of 31