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The Journal of Chemical Physics
|
October 24, 2007
Interaction of water, methanol, and ammonia with AlxOy-: a comparative theoretical study of Al5O4- versus Al3O3-
Ujjal Das, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
November 18, 2015
Analysis of Different Fragmentation Strategies on a Variety of Large Peptides: Implementation of a Low Level of Theory in Fragment-Based Methods Can Be a Crucial Factor
Arjun Saha, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
December 2, 2015
Al5O4: A Superatom with Potential for New Materials Design
Ujjal Das, Krishnan Raghavachari
The Journal of Chemical Physics
|
December 21, 2023
Fragment-based models for dissociation of strong acids in water: Electrostatic embedding minimizes the dependence on the fragmentation schemes
Vikrant Tripathy, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
April 17, 2024
Stepping-Stone CBH: Benchmark and Application of a Multilayered Isodesmic-Based Correction Scheme
Eric M Collins, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
May 11, 2012
Connectivity-Based Hierarchy for theoretical thermochemistry: assessment using wave function-based methods
Raghunath O Ramabhadran, Krishnan Raghavachari
Nano Letters
|
October 13, 2005
Carbon nanotube inner phase chemistry: the Cl- exchange SN2 reaction
Mathew D Halls, Krishnan Raghavachari
Colloids and Surfaces. B, Biointerfaces
|
November 7, 2000
Surface dependent structures of von Willebrand factor observed by AFM under aqueous conditions
Raghavachari, Tsai, Kottke-Marchant, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules Using an Automated Thermochemical Hierarchy
Raghunath O Ramabhadran, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
December 1, 2015
Multiple Solutions to the Single-Reference CCSD Equations for NiH
Nicholas J Mayhall, Krishnan Raghavachari
Page
of 31
Search research articles
Search
Showing results (41-50 of 305) with videos related to
Sort By:
Page
of 31
The Journal of Chemical Physics
|
October 24, 2007
Interaction of water, methanol, and ammonia with AlxOy-: a comparative theoretical study of Al5O4- versus Al3O3-
Ujjal Das, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
November 18, 2015
Analysis of Different Fragmentation Strategies on a Variety of Large Peptides: Implementation of a Low Level of Theory in Fragment-Based Methods Can Be a Crucial Factor
Arjun Saha, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
December 2, 2015
Al5O4: A Superatom with Potential for New Materials Design
Ujjal Das, Krishnan Raghavachari
The Journal of Chemical Physics
|
December 21, 2023
Fragment-based models for dissociation of strong acids in water: Electrostatic embedding minimizes the dependence on the fragmentation schemes
Vikrant Tripathy, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
April 17, 2024
Stepping-Stone CBH: Benchmark and Application of a Multilayered Isodesmic-Based Correction Scheme
Eric M Collins, Krishnan Raghavachari
The Journal of Physical Chemistry. A
|
May 11, 2012
Connectivity-Based Hierarchy for theoretical thermochemistry: assessment using wave function-based methods
Raghunath O Ramabhadran, Krishnan Raghavachari
Nano Letters
|
October 13, 2005
Carbon nanotube inner phase chemistry: the Cl- exchange SN2 reaction
Mathew D Halls, Krishnan Raghavachari
Colloids and Surfaces. B, Biointerfaces
|
November 7, 2000
Surface dependent structures of von Willebrand factor observed by AFM under aqueous conditions
Raghavachari, Tsai, Kottke-Marchant, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Extrapolation to the Gold-Standard in Quantum Chemistry: Computationally Efficient and Accurate CCSD(T) Energies for Large Molecules Using an Automated Thermochemical Hierarchy
Raghunath O Ramabhadran, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
December 1, 2015
Multiple Solutions to the Single-Reference CCSD Equations for NiH
Nicholas J Mayhall, Krishnan Raghavachari
Page
of 31