Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Raghunathan Ramakrishnan

Showing results (11-20 of 34) with videos related to

Pageof 4
Sort By:
Physical Chemistry Chemical Physics : PCCP|May 14, 2024
Resilience of Hund's rule in the chemical space of small organic moleculesAtreyee Majumdar, Raghunathan Ramakrishnan
The Journal of Chemical Physics|March 24, 2019
The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modelingSabyasachi Chakraborty, Prakriti Kayastha, Raghunathan Ramakrishnan
Physical Chemistry Chemical Physics : PCCP|February 14, 2025
Comment on "Designing potentially singlet fission materials with an anti-Kasha behaviour" by R. Pino-Rios, R. Báez-Grez, D. W. Szczepanik, and M. Solá, <i>Phys. Chem. Chem. Phys.</i>, 2024, <b>26</b>, 15386Komal Jindal, Atreyee Majumdar, Raghunathan Ramakrishnan
Chemical Communications (Cambridge, England)|January 24, 2024
Structure prediction from spectra amidst dynamical heterogeneity in melaninArpan Choudhury, Raghunathan Ramakrishnan, Debashree Ghosh
Chemical Science|July 16, 2025
Unlocking inverted singlet-triplet gap in alternant hydrocarbons with heteroatomsAtreyee Majumdar, Surajit Das, Raghunathan Ramakrishnan
The Journal of Physical Chemistry. B|January 13, 2023
Understanding the Role of Intramolecular Ion-Pair Interactions in Conformational Stability Using an <i>Ab Initio</i> Thermodynamic CycleSabyasachi Chakraborty, Kalyaneswar Mandal, Raghunathan Ramakrishnan
Chemical Science|June 24, 2021
Troubleshooting unstable molecules in chemical spaceSalini Senthil, Sabyasachi Chakraborty, Raghunathan Ramakrishnan
Chimia|December 17, 2015
Many Molecular Properties from One Kernel in Chemical SpaceRaghunathan Ramakrishnan, O Anatole von Lilienfeld
The Journal of Chemical Physics|January 30, 2021
Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpiesSambit Kumar Das, Sabyasachi Chakraborty, Raghunathan Ramakrishnan
The Journal of Chemical Physics|January 1, 2022
Data-driven modeling of S<sub>0</sub> → S<sub>1</sub> excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse designAmit Gupta, Sabyasachi Chakraborty, Debashree Ghosh, et al.
Pageof 4

Showing results (11-20 of 34) with videos related to

Sort By:
Pageof 4
Physical Chemistry Chemical Physics : PCCP|May 14, 2024
Resilience of Hund's rule in the chemical space of small organic moleculesAtreyee Majumdar, Raghunathan Ramakrishnan
The Journal of Chemical Physics|March 24, 2019
The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modelingSabyasachi Chakraborty, Prakriti Kayastha, Raghunathan Ramakrishnan
Physical Chemistry Chemical Physics : PCCP|February 14, 2025
Comment on "Designing potentially singlet fission materials with an anti-Kasha behaviour" by R. Pino-Rios, R. Báez-Grez, D. W. Szczepanik, and M. Solá, <i>Phys. Chem. Chem. Phys.</i>, 2024, <b>26</b>, 15386Komal Jindal, Atreyee Majumdar, Raghunathan Ramakrishnan
Chemical Communications (Cambridge, England)|January 24, 2024
Structure prediction from spectra amidst dynamical heterogeneity in melaninArpan Choudhury, Raghunathan Ramakrishnan, Debashree Ghosh
Chemical Science|July 16, 2025
Unlocking inverted singlet-triplet gap in alternant hydrocarbons with heteroatomsAtreyee Majumdar, Surajit Das, Raghunathan Ramakrishnan
The Journal of Physical Chemistry. B|January 13, 2023
Understanding the Role of Intramolecular Ion-Pair Interactions in Conformational Stability Using an <i>Ab Initio</i> Thermodynamic CycleSabyasachi Chakraborty, Kalyaneswar Mandal, Raghunathan Ramakrishnan
Chemical Science|June 24, 2021
Troubleshooting unstable molecules in chemical spaceSalini Senthil, Sabyasachi Chakraborty, Raghunathan Ramakrishnan
Chimia|December 17, 2015
Many Molecular Properties from One Kernel in Chemical SpaceRaghunathan Ramakrishnan, O Anatole von Lilienfeld
The Journal of Chemical Physics|January 30, 2021
Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpiesSambit Kumar Das, Sabyasachi Chakraborty, Raghunathan Ramakrishnan
The Journal of Chemical Physics|January 1, 2022
Data-driven modeling of S<sub>0</sub> → S<sub>1</sub> excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse designAmit Gupta, Sabyasachi Chakraborty, Debashree Ghosh, et al.
Pageof 4