Search research articles
Contact Us
Filters
Showing results (1-10 of 68) with videos related to
Page
of 7
Sort By:
The Journal of Physical Chemistry. A
|
September 10, 2011
Studies on the encapsulation of various anions in different fullerenes using density functional theory calculations and Born-Oppenheimer molecular dynamics simulation
Pawar Ravinder, Venkatesan Subramanian
Biopolymers
|
March 27, 2013
Length-dependent stability of α-helical peptide upon adsorption to single-walled carbon nanotube
Kanagasabai Balamurugan, Venkatesan Subramanian
Physical Chemistry Chemical Physics : PCCP
|
November 5, 2011
Structure, stability and spectral signatures of monoprotic carborane acid-water clusters (CBW(n), where n = 1-6)
Muthuramalingam Prakash, Venkatesan Subramanian
ACS Omega
|
August 29, 2019
Exploring Multifunctional Applications of Hexagonal Boron Arsenide Sheet: A DFT Study
Kamaraj Manoharan, Venkatesan Subramanian
Physical Chemistry Chemical Physics : PCCP
|
April 11, 2024
Harnessing halogen bond donors for enhanced nitrogen reduction: a case study on metal-free boron nitride single-atom catalysts
Venkata Surya Kumar Choutipalli, Venkatesan Subramanian
Physical Chemistry Chemical Physics : PCCP
|
September 23, 2024
DFT and machine learning guided investigation into the design of new dual-atom catalysts based on α-2 graphyne
Chandra Chowdhury, Esackraj Karthikraja, Venkatesan Subramanian
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2017
Can boron antisites of BNNTs be an efficient metal-free catalyst for nitrogen fixation? - A DFT investigation
Ch Venkata Surya Kumar, Venkatesan Subramanian
ACS Omega
|
August 29, 2019
Cp-Graphyne: A Low-Energy Graphyne Polymorph with Double Distorted Dirac Points
Naga Venkateswara Rao Nulakani, Venkatesan Subramanian
The Journal of Physical Chemistry. B
|
January 24, 2019
Theoretical Insights into the Role of Water Molecules in the Guanidinium-Based Protein Denaturation Process in Specific to Aromatic Amino Acids
Kanagasabai Balamurugan, Muthuramalingam Prakash, Venkatesan Subramanian
Chemistry, an Asian Journal
|
October 23, 2019
Role of Graphitic Nitrogen and π-Conjugated Functional Groups in Selective Oxidation of Alcohols: A DFT based Mechanistic Elucidation
Venkata Surya Kumar Choutipalli, Venkatesan Subramanian
Page
of 7
Search research articles
Search
Showing results (1-10 of 68) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry. A
|
September 10, 2011
Studies on the encapsulation of various anions in different fullerenes using density functional theory calculations and Born-Oppenheimer molecular dynamics simulation
Pawar Ravinder, Venkatesan Subramanian
Biopolymers
|
March 27, 2013
Length-dependent stability of α-helical peptide upon adsorption to single-walled carbon nanotube
Kanagasabai Balamurugan, Venkatesan Subramanian
Physical Chemistry Chemical Physics : PCCP
|
November 5, 2011
Structure, stability and spectral signatures of monoprotic carborane acid-water clusters (CBW(n), where n = 1-6)
Muthuramalingam Prakash, Venkatesan Subramanian
ACS Omega
|
August 29, 2019
Exploring Multifunctional Applications of Hexagonal Boron Arsenide Sheet: A DFT Study
Kamaraj Manoharan, Venkatesan Subramanian
Physical Chemistry Chemical Physics : PCCP
|
April 11, 2024
Harnessing halogen bond donors for enhanced nitrogen reduction: a case study on metal-free boron nitride single-atom catalysts
Venkata Surya Kumar Choutipalli, Venkatesan Subramanian
Physical Chemistry Chemical Physics : PCCP
|
September 23, 2024
DFT and machine learning guided investigation into the design of new dual-atom catalysts based on α-2 graphyne
Chandra Chowdhury, Esackraj Karthikraja, Venkatesan Subramanian
Physical Chemistry Chemical Physics : PCCP
|
June 3, 2017
Can boron antisites of BNNTs be an efficient metal-free catalyst for nitrogen fixation? - A DFT investigation
Ch Venkata Surya Kumar, Venkatesan Subramanian
ACS Omega
|
August 29, 2019
Cp-Graphyne: A Low-Energy Graphyne Polymorph with Double Distorted Dirac Points
Naga Venkateswara Rao Nulakani, Venkatesan Subramanian
The Journal of Physical Chemistry. B
|
January 24, 2019
Theoretical Insights into the Role of Water Molecules in the Guanidinium-Based Protein Denaturation Process in Specific to Aromatic Amino Acids
Kanagasabai Balamurugan, Muthuramalingam Prakash, Venkatesan Subramanian
Chemistry, an Asian Journal
|
October 23, 2019
Role of Graphitic Nitrogen and π-Conjugated Functional Groups in Selective Oxidation of Alcohols: A DFT based Mechanistic Elucidation
Venkata Surya Kumar Choutipalli, Venkatesan Subramanian
Page
of 7