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The Journal of Chemical Physics
|
December 2, 2021
Accelerating molecular property calculations with semiempirical preconditioning
Zehao Zhou, Shane M Parker
Journal of Chemical Theory and Computation
|
July 25, 2024
Converging Time-Dependent Density Functional Theory Calculations in Five Iterations with Minimal Auxiliary Preconditioning
Zehao Zhou, Shane M Parker
The Journal of Physical Chemistry Letters
|
February 14, 2023
Minimal Auxiliary Basis Set Approach for the Electronic Excitation Spectra of Organic Molecules
Zehao Zhou, Fabio Della Sala, Shane M Parker
Inorganic Chemistry
|
August 12, 2021
Tuning the Properties of Azadipyrromethene-Based Near-Infrared Dyes Using Intramolecular BO Chelation and Peripheral Substitutions
Jayvic C Jimenez, Zehao Zhou, Arnold L Rheingold, et al.
Organic Letters
|
September 8, 2021
Mutually Orthogonal Bioconjugation of Vinyl Nucleosides for RNA Metabolic Labeling
Mrityunjay Gupta, Monika Singha, Dnyaneshwar B Rasale, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Quasi-diabatic States from Active Space Decomposition
Shane M Parker, Toru Shiozaki
The Journal of Chemical Physics
|
December 8, 2014
Communication: Active space decomposition with multiple sites: density matrix renormalization group algorithm
Shane M Parker, Toru Shiozaki
The Journal of Chemical Physics
|
November 10, 2020
Surface hopping with cumulative probabilities: Even sampling and improved reproducibility
Shane M Parker, Colin J Schiltz
The Journal of Chemical Physics
|
March 12, 2025
Numerically stable resonating Hartree-Fock
Ericka Roy Miller, Shane M Parker
Physical Chemistry Chemical Physics : PCCP
|
August 30, 2019
Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation
Shane M Parker, Saswata Roy, Filipp Furche
Page
of 6
Search research articles
Search
Showing results (1-10 of 52) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
December 2, 2021
Accelerating molecular property calculations with semiempirical preconditioning
Zehao Zhou, Shane M Parker
Journal of Chemical Theory and Computation
|
July 25, 2024
Converging Time-Dependent Density Functional Theory Calculations in Five Iterations with Minimal Auxiliary Preconditioning
Zehao Zhou, Shane M Parker
The Journal of Physical Chemistry Letters
|
February 14, 2023
Minimal Auxiliary Basis Set Approach for the Electronic Excitation Spectra of Organic Molecules
Zehao Zhou, Fabio Della Sala, Shane M Parker
Inorganic Chemistry
|
August 12, 2021
Tuning the Properties of Azadipyrromethene-Based Near-Infrared Dyes Using Intramolecular BO Chelation and Peripheral Substitutions
Jayvic C Jimenez, Zehao Zhou, Arnold L Rheingold, et al.
Organic Letters
|
September 8, 2021
Mutually Orthogonal Bioconjugation of Vinyl Nucleosides for RNA Metabolic Labeling
Mrityunjay Gupta, Monika Singha, Dnyaneshwar B Rasale, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Quasi-diabatic States from Active Space Decomposition
Shane M Parker, Toru Shiozaki
The Journal of Chemical Physics
|
December 8, 2014
Communication: Active space decomposition with multiple sites: density matrix renormalization group algorithm
Shane M Parker, Toru Shiozaki
The Journal of Chemical Physics
|
November 10, 2020
Surface hopping with cumulative probabilities: Even sampling and improved reproducibility
Shane M Parker, Colin J Schiltz
The Journal of Chemical Physics
|
March 12, 2025
Numerically stable resonating Hartree-Fock
Ericka Roy Miller, Shane M Parker
Physical Chemistry Chemical Physics : PCCP
|
August 30, 2019
Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation
Shane M Parker, Saswata Roy, Filipp Furche
Page
of 6