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Roger D Amos

Showing results (1-10 of 9) with videos related to

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Journal of Chemical Information and Modeling|February 8, 2019
Feature Engineering for Materials Chemistry-Does Size Matter?Roger D Amos, Rika Kobayashi
The Journal of Physical Chemistry. A|October 19, 2025
Spectroscopic Constants of Chiral Isomers of AcetamideRoger D Amos, Rika Kobayashi
Nanomaterials (Basel, Switzerland)|June 27, 2023
Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles-Transferability towards BulkMarco Fronzi, Roger D Amos, Rika Kobayashi
The Journal of Physical Chemistry. A|November 7, 2018
Application of the Systematic Molecular Fragmentation by Annihilation Method to ab Initio NMR Chemical Shift CalculationsRika Kobayashi, Roger D Amos, David M Reid, et al.
Journal of Computational Chemistry|May 20, 2021
Accurate prediction of the properties of materials using the CAM-B3LYP density functionalMusen Li, Jeffrey R Reimers, Michael J Ford, et al.
Chemical Science|February 28, 2022
Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materialsMusen Li, Rika Kobayashi, Roger D Amos, et al.
The Journal of Physical Chemistry. B|April 8, 2010
Studies of the ground and excited-state surfaces of the retinal chromophore using CAM-B3LYPIvan V Rostov, Roger D Amos, Rika Kobayashi, et al.
Nanomaterials (Basel, Switzerland)|November 11, 2022
Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold NanoparticlesMarco Fronzi, Roger D Amos, Rika Kobayashi, et al.
The Journal of Physical Chemistry. B|August 4, 2006
Density functional theory for charge transfer: the nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculationsZheng-Li Cai, Maxwell J Crossley, Jeffrey R Reimers, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|February 8, 2019
Feature Engineering for Materials Chemistry-Does Size Matter?Roger D Amos, Rika Kobayashi
The Journal of Physical Chemistry. A|October 19, 2025
Spectroscopic Constants of Chiral Isomers of AcetamideRoger D Amos, Rika Kobayashi
Nanomaterials (Basel, Switzerland)|June 27, 2023
Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles-Transferability towards BulkMarco Fronzi, Roger D Amos, Rika Kobayashi
The Journal of Physical Chemistry. A|November 7, 2018
Application of the Systematic Molecular Fragmentation by Annihilation Method to ab Initio NMR Chemical Shift CalculationsRika Kobayashi, Roger D Amos, David M Reid, et al.
Journal of Computational Chemistry|May 20, 2021
Accurate prediction of the properties of materials using the CAM-B3LYP density functionalMusen Li, Jeffrey R Reimers, Michael J Ford, et al.
Chemical Science|February 28, 2022
Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materialsMusen Li, Rika Kobayashi, Roger D Amos, et al.
The Journal of Physical Chemistry. B|April 8, 2010
Studies of the ground and excited-state surfaces of the retinal chromophore using CAM-B3LYPIvan V Rostov, Roger D Amos, Rika Kobayashi, et al.
Nanomaterials (Basel, Switzerland)|November 11, 2022
Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold NanoparticlesMarco Fronzi, Roger D Amos, Rika Kobayashi, et al.
The Journal of Physical Chemistry. B|August 4, 2006
Density functional theory for charge transfer: the nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculationsZheng-Li Cai, Maxwell J Crossley, Jeffrey R Reimers, et al.
Pageof 1