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Journal of Molecular Modeling
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November 3, 2010
Infrared and electronic absorption spectra of n-butyronitrile and its ions using Møller Plesset method
Mahadevappa Naganathappa, Ajay Chaudhari
The Journal of Physical Chemistry. A
|
April 21, 2011
Effect of ionization on infrared and electronic absorption spectra of methyl and ethyl formate in the gas phase and in astrophysical H2O ice: a computational study
Mahadevappa Naganathappa, Ajay Chaudhari
Journal of Molecular Modeling
|
October 22, 2014
Theoretical investigation of hydrogen bonding interaction in H3O(+)(H2O)9 complex
Gul Afroz Meraj, Ajay Chaudhari
The Journal of Chemical Physics
|
July 23, 2004
A computational study of microsolvation effect on ethylene glycol by density functional method
Ajay Chaudhari, Shyi-Long Lee
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2016
Impact of position and number of boron atom substitution on hydrogen uptake capacity of Li-decorated pentalene
Priyanka Tavhare, Amol Deshmukh, Ajay Chaudhari
Journal of Hazardous Materials
|
August 14, 2020
Toxic volatile organic compounds sensing by Al<sub>2</sub>C monolayer: A first-principles outlook
Rezvan Rahimi, Mohammad Solimannejad, Ajay Chaudhari
Physical Chemistry Chemical Physics : PCCP
|
December 17, 2025
Unveiling the HER potential of TM-substituted PdTe<sub>2</sub> monolayers: a first-principles study
Poonam Parkar, Ajay Chaudhari, Brahmananda Chakraborty
Journal of Computational Chemistry
|
January 19, 2010
Hydrogen uptake capacity of C2H4Sc and its ions: a density functional study
Nitin Wadnerkar, Vijayanand Kalamse, Ajay Chaudhari
Journal of Molecular Modeling
|
October 13, 2011
Hydrogen storage in C3Ti complex using quantum chemical methods and molecular dynamics simulations
Vijayanand Kalamse, Nitin Wadnerkar, Ajay Chaudhari
Journal of Molecular Modeling
|
March 7, 2012
Cooperativity effects in linear formaldehyde oligomers using density functional theory calculations
Vinayak Deshmukh, Shyi-Long Lee, Ajay Chaudhari
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Molecular Modeling
|
November 3, 2010
Infrared and electronic absorption spectra of n-butyronitrile and its ions using Møller Plesset method
Mahadevappa Naganathappa, Ajay Chaudhari
The Journal of Physical Chemistry. A
|
April 21, 2011
Effect of ionization on infrared and electronic absorption spectra of methyl and ethyl formate in the gas phase and in astrophysical H2O ice: a computational study
Mahadevappa Naganathappa, Ajay Chaudhari
Journal of Molecular Modeling
|
October 22, 2014
Theoretical investigation of hydrogen bonding interaction in H3O(+)(H2O)9 complex
Gul Afroz Meraj, Ajay Chaudhari
The Journal of Chemical Physics
|
July 23, 2004
A computational study of microsolvation effect on ethylene glycol by density functional method
Ajay Chaudhari, Shyi-Long Lee
Physical Chemistry Chemical Physics : PCCP
|
December 6, 2016
Impact of position and number of boron atom substitution on hydrogen uptake capacity of Li-decorated pentalene
Priyanka Tavhare, Amol Deshmukh, Ajay Chaudhari
Journal of Hazardous Materials
|
August 14, 2020
Toxic volatile organic compounds sensing by Al<sub>2</sub>C monolayer: A first-principles outlook
Rezvan Rahimi, Mohammad Solimannejad, Ajay Chaudhari
Physical Chemistry Chemical Physics : PCCP
|
December 17, 2025
Unveiling the HER potential of TM-substituted PdTe<sub>2</sub> monolayers: a first-principles study
Poonam Parkar, Ajay Chaudhari, Brahmananda Chakraborty
Journal of Computational Chemistry
|
January 19, 2010
Hydrogen uptake capacity of C2H4Sc and its ions: a density functional study
Nitin Wadnerkar, Vijayanand Kalamse, Ajay Chaudhari
Journal of Molecular Modeling
|
October 13, 2011
Hydrogen storage in C3Ti complex using quantum chemical methods and molecular dynamics simulations
Vijayanand Kalamse, Nitin Wadnerkar, Ajay Chaudhari
Journal of Molecular Modeling
|
March 7, 2012
Cooperativity effects in linear formaldehyde oligomers using density functional theory calculations
Vinayak Deshmukh, Shyi-Long Lee, Ajay Chaudhari
Page
of 3