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Journal of Chemical Theory and Computation
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September 29, 2018
Theoretical Study of Protein-Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method
Bishnu Thapa, Daniel Beckett, Jon Erickson, et al.
The Journal of Physical Chemistry. A
|
May 6, 2026
MIM-ML: Combining Molecular Fragmentation and Machine Learning for Accurate Prediction of NMR Chemical Shifts for Large Peptides
Surya Sekhar Manna, Sruthy K Chandy, Krishnan Raghavachari
The Journal of Chemical Physics
|
December 3, 2008
Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic charges
Priya V Parandekar, Hrant P Hratchian, Krishnan Raghavachari
The Journal of Chemical Physics
|
March 9, 2007
Gaussian-4 theory
Larry A Curtiss, Paul C Redfern, Krishnan Raghavachari
The Journal of Chemical Physics
|
October 2, 2007
Gaussian-4 theory using reduced order perturbation theory
Larry A Curtiss, Paul C Redfern, Krishnan Raghavachari
The Journal of Physical Chemistry. B
|
July 26, 2006
Hafnium oxide and zirconium oxide atomic layer deposition: initial precursor and potential side-reaction product pathways with H/Si(100)-2 x 1
Ryan D Fenno, Mathew D Halls, Krishnan Raghavachari
Materials Science & Engineering. C, Materials for Biological Applications
|
September 11, 2019
Facile preparation of biocompatible macroporous chitosan hydrogel by hydrothermal reaction of a mixture of chitosan-succinic acid-urea
Prabha Govindaraj, Narayanan Abathodharanan, Kartik Ravishankar, et al.
The Journal of Physical Chemistry. A
|
December 10, 2016
Restricted-Open-Shell G4(MP2)-Type Procedures
Bun Chan, Amir Karton, Krishnan Raghavachari, et al.
Inorganic Chemistry
|
August 21, 2018
Redox "Innocence" of Re(I) in Electrochemical CO<sub>2</sub> Reduction Catalyzed by Nanographene-Re Complexes
Richard N Schaugaard, Krishnan Raghavachari, Liang-Shi Li
The Journal of Physical Chemistry. A
|
January 25, 2013
Evaluation of the heats of formation of corannulene and C60 by means of high-level theoretical procedures
Amir Karton, Bun Chan, Krishnan Raghavachari, et al.
Page
of 31
Search research articles
Search
Showing results (111-120 of 305) with videos related to
Sort By:
Page
of 31
Journal of Chemical Theory and Computation
|
September 29, 2018
Theoretical Study of Protein-Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method
Bishnu Thapa, Daniel Beckett, Jon Erickson, et al.
The Journal of Physical Chemistry. A
|
May 6, 2026
MIM-ML: Combining Molecular Fragmentation and Machine Learning for Accurate Prediction of NMR Chemical Shifts for Large Peptides
Surya Sekhar Manna, Sruthy K Chandy, Krishnan Raghavachari
The Journal of Chemical Physics
|
December 3, 2008
Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic charges
Priya V Parandekar, Hrant P Hratchian, Krishnan Raghavachari
The Journal of Chemical Physics
|
March 9, 2007
Gaussian-4 theory
Larry A Curtiss, Paul C Redfern, Krishnan Raghavachari
The Journal of Chemical Physics
|
October 2, 2007
Gaussian-4 theory using reduced order perturbation theory
Larry A Curtiss, Paul C Redfern, Krishnan Raghavachari
The Journal of Physical Chemistry. B
|
July 26, 2006
Hafnium oxide and zirconium oxide atomic layer deposition: initial precursor and potential side-reaction product pathways with H/Si(100)-2 x 1
Ryan D Fenno, Mathew D Halls, Krishnan Raghavachari
Materials Science & Engineering. C, Materials for Biological Applications
|
September 11, 2019
Facile preparation of biocompatible macroporous chitosan hydrogel by hydrothermal reaction of a mixture of chitosan-succinic acid-urea
Prabha Govindaraj, Narayanan Abathodharanan, Kartik Ravishankar, et al.
The Journal of Physical Chemistry. A
|
December 10, 2016
Restricted-Open-Shell G4(MP2)-Type Procedures
Bun Chan, Amir Karton, Krishnan Raghavachari, et al.
Inorganic Chemistry
|
August 21, 2018
Redox "Innocence" of Re(I) in Electrochemical CO<sub>2</sub> Reduction Catalyzed by Nanographene-Re Complexes
Richard N Schaugaard, Krishnan Raghavachari, Liang-Shi Li
The Journal of Physical Chemistry. A
|
January 25, 2013
Evaluation of the heats of formation of corannulene and C60 by means of high-level theoretical procedures
Amir Karton, Bun Chan, Krishnan Raghavachari, et al.
Page
of 31