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Journal of Chemical Theory and Computation
|
November 21, 2015
Prediction of Accurate Thermochemistry of Medium and Large Sized Radicals Using Connectivity-Based Hierarchy (CBH)
Arkajyoti Sengupta, Krishnan Raghavachari
Organic Letters
|
May 6, 2017
Solving the Density Functional Conundrum: Elimination of Systematic Errors To Derive Accurate Reaction Enthalpies of Complex Organic Reactions
Arkajyoti Sengupta, Krishnan Raghavachari
The Journal of Organic Chemistry
|
November 17, 2012
Mechanistic insights on organocatalytic enantioselective decarboxylative protonation by epicinchona-thiourea hybrid derivatives
Arkajyoti Sengupta, Raghavan B Sunoj
The Journal of Physical Chemistry. A
|
September 15, 2023
Origins of Periselectivity and Regioselectivity in Ambimodal Tripericyclic [8+6]/[6+4]/[4+2] Intramolecular Cycloadditions of a Heptafulvenyl-Fulvene
Arkajyoti Sengupta, K N Houk
The Journal of Physical Chemistry. B
|
July 29, 2014
Accurate and computationally efficient prediction of thermochemical properties of biomolecules using the generalized connectivity-based hierarchy
Arkajyoti Sengupta, Raghunath O Ramabhadran, 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
The Journal of Organic Chemistry
|
November 1, 2022
Probative Evidence and Quantitative Energetics for the Unimolecular Mechanism of the 1,5-Sigmatropic Hydrogen Shift of Cyclopentadiene
Quan Tran, Arkajyoti Sengupta, K N Houk
Journal of Computational Chemistry
|
August 18, 2015
Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost
Arkajyoti Sengupta, Raghunath O Ramabhadran, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
May 24, 2013
Application of the generalized connectivity-based hierarchy to biomonomers: enthalpies of formation of cysteine and methionine
Raghunath O Ramabhadran, Arkajyoti Sengupta, Krishnan Raghavachari
Journal of the American Chemical Society
|
November 2, 2018
Simulating the Chelate Effect
Arkajyoti Sengupta, Anthony Seitz, Kenneth M Merz
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Search research articles
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Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
November 21, 2015
Prediction of Accurate Thermochemistry of Medium and Large Sized Radicals Using Connectivity-Based Hierarchy (CBH)
Arkajyoti Sengupta, Krishnan Raghavachari
Organic Letters
|
May 6, 2017
Solving the Density Functional Conundrum: Elimination of Systematic Errors To Derive Accurate Reaction Enthalpies of Complex Organic Reactions
Arkajyoti Sengupta, Krishnan Raghavachari
The Journal of Organic Chemistry
|
November 17, 2012
Mechanistic insights on organocatalytic enantioselective decarboxylative protonation by epicinchona-thiourea hybrid derivatives
Arkajyoti Sengupta, Raghavan B Sunoj
The Journal of Physical Chemistry. A
|
September 15, 2023
Origins of Periselectivity and Regioselectivity in Ambimodal Tripericyclic [8+6]/[6+4]/[4+2] Intramolecular Cycloadditions of a Heptafulvenyl-Fulvene
Arkajyoti Sengupta, K N Houk
The Journal of Physical Chemistry. B
|
July 29, 2014
Accurate and computationally efficient prediction of thermochemical properties of biomolecules using the generalized connectivity-based hierarchy
Arkajyoti Sengupta, Raghunath O Ramabhadran, 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
The Journal of Organic Chemistry
|
November 1, 2022
Probative Evidence and Quantitative Energetics for the Unimolecular Mechanism of the 1,5-Sigmatropic Hydrogen Shift of Cyclopentadiene
Quan Tran, Arkajyoti Sengupta, K N Houk
Journal of Computational Chemistry
|
August 18, 2015
Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost
Arkajyoti Sengupta, Raghunath O Ramabhadran, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
May 24, 2013
Application of the generalized connectivity-based hierarchy to biomonomers: enthalpies of formation of cysteine and methionine
Raghunath O Ramabhadran, Arkajyoti Sengupta, Krishnan Raghavachari
Journal of the American Chemical Society
|
November 2, 2018
Simulating the Chelate Effect
Arkajyoti Sengupta, Anthony Seitz, Kenneth M Merz
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of 3