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Journal of Chemical Information and Modeling
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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 Acetamide
Roger D Amos, Rika Kobayashi
Nanomaterials (Basel, Switzerland)
|
June 27, 2023
Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles-Transferability towards Bulk
Marco 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 Calculations
Rika 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 functional
Musen 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 materials
Musen 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-B3LYP
Ivan 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 Nanoparticles
Marco 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 calculations
Zheng-Li Cai, Maxwell J Crossley, Jeffrey R Reimers, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 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 Acetamide
Roger D Amos, Rika Kobayashi
Nanomaterials (Basel, Switzerland)
|
June 27, 2023
Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles-Transferability towards Bulk
Marco 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 Calculations
Rika 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 functional
Musen 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 materials
Musen 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-B3LYP
Ivan 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 Nanoparticles
Marco 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 calculations
Zheng-Li Cai, Maxwell J Crossley, Jeffrey R Reimers, et al.
Page
of 1