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Journal of Chemical Theory and Computation
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November 20, 2015
Near and Above Ionization Electronic Excitations with Non-Hermitian Real-Time Time-Dependent Density Functional Theory
Kenneth Lopata, Niranjan Govind
The Journal of Physical Chemistry. A
|
August 15, 2009
Excited states of DNA base pairs using long-range corrected time-dependent density functional theory
Lasse Jensen, Niranjan Govind
Journal of Chemical Theory and Computation
|
November 27, 2015
Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores
Kenneth Lopata, Niranjan Govind
The Journal of Physical Chemistry. A
|
June 20, 2008
Toward understanding the nature of internal rotation barriers with a new energy partition scheme: ethane and n-butane
Shubin Liu, Niranjan Govind
Physical Chemistry Chemical Physics : PCCP
|
June 14, 2022
Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods
Daniel R Nascimento, Niranjan Govind
Physical Chemistry Chemical Physics : PCCP
|
August 10, 2022
Correction: Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods
Daniel R Nascimento, Niranjan Govind
The Journal of Physical Chemistry Letters
|
December 15, 2025
A Meta-Generalized Gradient Approximation for the Cavity-Dependent Exchange-Correlation Interaction in Strongly Coupled Light-Matter Systems
Daniel Mejia-Rodriguez, Niranjan Govind
The Journal of Physical Chemistry Letters
|
December 17, 2024
Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering
Amke Nimmrich, Niranjan Govind, Munira Khalil
The Journal of Physical Chemistry Letters
|
May 31, 2023
A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions
Soumen Ghosh, Shaul Mukamel, Niranjan Govind
Journal of Chemical Theory and Computation
|
December 1, 2015
Electric Field Gradients Calculated from Two-Component Hybrid Density Functional Theory Including Spin-Orbit Coupling
Fredy Aquino, Niranjan Govind, Jochen Autschbach
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of 14
Search research articles
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Showing results (1-10 of 140) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
November 20, 2015
Near and Above Ionization Electronic Excitations with Non-Hermitian Real-Time Time-Dependent Density Functional Theory
Kenneth Lopata, Niranjan Govind
The Journal of Physical Chemistry. A
|
August 15, 2009
Excited states of DNA base pairs using long-range corrected time-dependent density functional theory
Lasse Jensen, Niranjan Govind
Journal of Chemical Theory and Computation
|
November 27, 2015
Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores
Kenneth Lopata, Niranjan Govind
The Journal of Physical Chemistry. A
|
June 20, 2008
Toward understanding the nature of internal rotation barriers with a new energy partition scheme: ethane and n-butane
Shubin Liu, Niranjan Govind
Physical Chemistry Chemical Physics : PCCP
|
June 14, 2022
Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods
Daniel R Nascimento, Niranjan Govind
Physical Chemistry Chemical Physics : PCCP
|
August 10, 2022
Correction: Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods
Daniel R Nascimento, Niranjan Govind
The Journal of Physical Chemistry Letters
|
December 15, 2025
A Meta-Generalized Gradient Approximation for the Cavity-Dependent Exchange-Correlation Interaction in Strongly Coupled Light-Matter Systems
Daniel Mejia-Rodriguez, Niranjan Govind
The Journal of Physical Chemistry Letters
|
December 17, 2024
Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering
Amke Nimmrich, Niranjan Govind, Munira Khalil
The Journal of Physical Chemistry Letters
|
May 31, 2023
A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions
Soumen Ghosh, Shaul Mukamel, Niranjan Govind
Journal of Chemical Theory and Computation
|
December 1, 2015
Electric Field Gradients Calculated from Two-Component Hybrid Density Functional Theory Including Spin-Orbit Coupling
Fredy Aquino, Niranjan Govind, Jochen Autschbach
Page
of 14