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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 Computational Chemistry
|
November 14, 2025
Anion Binding by Macrocyclic Receptors: Computational Landscape of 1:1 and 2:1 Stoichiometries
Minwei Che, Amar H Flood, Krishnan Raghavachari
Science (New York, N.Y.)
|
November 15, 1991
Superconductivity in the fullerenes
C M Varma, J Zaanen, K Raghavachari
Physical Chemistry Chemical Physics : PCCP
|
November 27, 2020
Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based method
Sruthy K Chandy, Bishnu Thapa, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
June 12, 2019
Exploring Reaction Energy Profiles Using the Molecules-in-Molecules Fragmentation-Based Approach
Ankur Kumar Gupta, Bishnu Thapa, Krishnan Raghavachari
Journal of Chemical Information and Modeling
|
February 1, 2024
Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine Learning
Alec J Sanchez, Sarah Maier, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
September 26, 2022
ONIOM Method with Charge Transfer Corrections (ONIOM-CT): Analytic Gradients and Benchmarking
Vikrant Tripathy, Nicholas J Mayhall, Krishnan Raghavachari
Inorganic Chemistry
|
July 14, 2018
Mechanistic Role of Two-State Reactivity in a Molecular MoS<sub>2</sub> Edge-Site Analogue for Hydrogen Evolution Electrocatalysis
Richard Schaugaard, Caroline Chick Jarrold, Krishnan Raghavachari
The Journal of Chemical Physics
|
January 11, 2005
Addition of water to Al5O4- determined by anion photoelectron spectroscopy and quantum chemical calculations
Ujjal Das, Krishnan Raghavachari, Caroline Chick Jarrold
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
Page
of 31
Search research articles
Search
Showing results (91-100 of 305) with videos related to
Sort By:
Page
of 31
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 Computational Chemistry
|
November 14, 2025
Anion Binding by Macrocyclic Receptors: Computational Landscape of 1:1 and 2:1 Stoichiometries
Minwei Che, Amar H Flood, Krishnan Raghavachari
Science (New York, N.Y.)
|
November 15, 1991
Superconductivity in the fullerenes
C M Varma, J Zaanen, K Raghavachari
Physical Chemistry Chemical Physics : PCCP
|
November 27, 2020
Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based method
Sruthy K Chandy, Bishnu Thapa, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
June 12, 2019
Exploring Reaction Energy Profiles Using the Molecules-in-Molecules Fragmentation-Based Approach
Ankur Kumar Gupta, Bishnu Thapa, Krishnan Raghavachari
Journal of Chemical Information and Modeling
|
February 1, 2024
Leveraging DFT and Molecular Fragmentation for Chemically Accurate p<i>K</i><sub>a</sub> Prediction Using Machine Learning
Alec J Sanchez, Sarah Maier, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
September 26, 2022
ONIOM Method with Charge Transfer Corrections (ONIOM-CT): Analytic Gradients and Benchmarking
Vikrant Tripathy, Nicholas J Mayhall, Krishnan Raghavachari
Inorganic Chemistry
|
July 14, 2018
Mechanistic Role of Two-State Reactivity in a Molecular MoS<sub>2</sub> Edge-Site Analogue for Hydrogen Evolution Electrocatalysis
Richard Schaugaard, Caroline Chick Jarrold, Krishnan Raghavachari
The Journal of Chemical Physics
|
January 11, 2005
Addition of water to Al5O4- determined by anion photoelectron spectroscopy and quantum chemical calculations
Ujjal Das, Krishnan Raghavachari, Caroline Chick Jarrold
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
Page
of 31