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Ajay Chaudhari

Showing results (11-20 of 26) with videos related to

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Journal of Molecular Graphics & Modelling|July 27, 2025
Computational insights into Li cluster-based gas sensorsMohsen Doust Mohammadi, Poonam Parkar, Ajay Chaudhari
Journal of Molecular Modeling|September 8, 2012
Correlation between substituent constants and hyperpolarizabilities for di-substituted trans-azobenzenesTsung-Yi Lin, Ajay Chaudhari, Shyi-Long Lee
The Journal of Chemical Physics|July 23, 2004
Many-body interaction in glycine-(water)3 complex using density functional theory methodAjay Chaudhari, Prabhat K Sahu, Shyi-Long Lee
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|September 18, 2021
Spectroscopy and second hyperpolarizability of odd spin states of acetonitrile: Theoretical studyBhagwat Kharat, Mahadevappa Naganathappa, Vasant Jagrut, et al.
Journal of Molecular Modeling|August 9, 2021
Titanium-benzene complex as a molecular oxide adsorbent: a first principles approachNilesh Ingale, Priyanka Tavhare, Mohammad Solimannejad, et al.
Journal of Molecular Modeling|October 13, 2020
Nonlinear optical properties and spectroscopic characterization of Y-shaped polymer using quantum chemical approachMahadevappa Naganathappa, Sampath Ravula, Balakrishna Kolli, et al.
Journal of Computational Chemistry|September 8, 2005
Theoretical studies on nonlinear optical properties of formaldehyde oligomers by ab initio and density functional theory methodsHui-Yin Wu, Ajay Chaudhari, Shyi-Long Lee
Journal of Molecular Modeling|March 3, 2010
Many-body energies during proton transfer in an aqueous systemAjay Chaudhari, Gul Afroz Meraj, Shyi-Long Lee
Journal of Molecular Modeling|May 5, 2022
Effect of new DFT methods on spectroscopy and NLO analysis of 2-Bromo-5-nitrothiozole and nitrosodimethylamineSumalya Kaluva, Venkata Lakshmi Karri, Ajay Chaudhari, et al.
RSC Advances|October 30, 2025
C<sub>20</sub> and nitrogen-substituted fullerenes: anharmonic IR and UV-vis spectra for astrophysical environmentsVenkata Lakshmi Karri, Ajay Chaudhari, Takashi Onaka, et al.
Pageof 3

Showing results (11-20 of 26) with videos related to

Sort By:
Pageof 3
Journal of Molecular Graphics & Modelling|July 27, 2025
Computational insights into Li cluster-based gas sensorsMohsen Doust Mohammadi, Poonam Parkar, Ajay Chaudhari
Journal of Molecular Modeling|September 8, 2012
Correlation between substituent constants and hyperpolarizabilities for di-substituted trans-azobenzenesTsung-Yi Lin, Ajay Chaudhari, Shyi-Long Lee
The Journal of Chemical Physics|July 23, 2004
Many-body interaction in glycine-(water)3 complex using density functional theory methodAjay Chaudhari, Prabhat K Sahu, Shyi-Long Lee
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|September 18, 2021
Spectroscopy and second hyperpolarizability of odd spin states of acetonitrile: Theoretical studyBhagwat Kharat, Mahadevappa Naganathappa, Vasant Jagrut, et al.
Journal of Molecular Modeling|August 9, 2021
Titanium-benzene complex as a molecular oxide adsorbent: a first principles approachNilesh Ingale, Priyanka Tavhare, Mohammad Solimannejad, et al.
Journal of Molecular Modeling|October 13, 2020
Nonlinear optical properties and spectroscopic characterization of Y-shaped polymer using quantum chemical approachMahadevappa Naganathappa, Sampath Ravula, Balakrishna Kolli, et al.
Journal of Computational Chemistry|September 8, 2005
Theoretical studies on nonlinear optical properties of formaldehyde oligomers by ab initio and density functional theory methodsHui-Yin Wu, Ajay Chaudhari, Shyi-Long Lee
Journal of Molecular Modeling|March 3, 2010
Many-body energies during proton transfer in an aqueous systemAjay Chaudhari, Gul Afroz Meraj, Shyi-Long Lee
Journal of Molecular Modeling|May 5, 2022
Effect of new DFT methods on spectroscopy and NLO analysis of 2-Bromo-5-nitrothiozole and nitrosodimethylamineSumalya Kaluva, Venkata Lakshmi Karri, Ajay Chaudhari, et al.
RSC Advances|October 30, 2025
C<sub>20</sub> and nitrogen-substituted fullerenes: anharmonic IR and UV-vis spectra for astrophysical environmentsVenkata Lakshmi Karri, Ajay Chaudhari, Takashi Onaka, et al.
Pageof 3