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R

Roger D. Amos

Australian National University

55H指数
171论文数
9.8K被引数
收录论文 15
发表时间
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Unlocking the future of materials science: key insights from the DCTMD workshop解锁材料科学的未来：DCTMD 工作坊的关键见解
errJOURNAL OF MATERIALS INFORMATICS
IF5.6
err2025-12-01
err0
PREAI
errKobayashi, Rika; Amos, Roger D.; Crawford, T. Daniel; Hao, Hongxia; Liu, Yi; Lookman, Turab; Ramprasad, Rampi; Scheffler, Matthias; Wang, Hong; Zhang, Tong-Yi
err分享
err收藏
Spectroscopic Constants of Chiral Isomers of Acetamide手性乙酰胺异构体的光谱常数
errThe Journal of Physical Chemistry A
IF2.8
err2025-10-19
err0
PREAI
errRoger D. Amos; Rika Kobayashi
err分享
err收藏
Reproducible Density Functional Theory Predictions of Bandgaps for Materials可重现的密度泛函理论对材料带隙的预测
errComputational Condensed Matter
IF3.9
err2025-08-28
err0
errOAAI
errChenxi Lu; Musen Li; Michael J. Ford; Rika Kobayashi; Roger D. Amos; Jeffrey R. Reimers
err分享
err收藏
Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles-Transferability towards Bulk金纳米粒子的机器学习原子间势的评估-向批量的可转移性
errNANOMATERIALS
IF4.3
err2023-06-09
err5
errOAAI
errFronzi, Marco; Amos, Roger D.; Kobayashi, Rika
err分享
err收藏
Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold Nanoparticles用于金纳米颗粒性质的机器学习原子间势的评估
errNANOMATERIALS
IF4.3
err2022-11-03
err11
errOAAI
errFronzi, Marco; Amos, Roger D.; Kobayashi, Rika; Matsumura, Naoki; Watanabe, Kenta; Morizawa, Rafael K.
err分享
err收藏
Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materials
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err7
errOAAI
errLi, Musen; Kobayashi, Rika; Amos, Roger D.; Ford, Michael J.; Reimers, Jeffrey R.
err分享
err收藏
Accurate prediction of the properties of materials using the CAM-B3LYP density functional使用CAM-B3LYP密度泛函精确预测材料的性能
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-05-19
err55
errOAAI
errLi, Musen; Reimers, Jeffrey R.; Ford, Michael J.; Kobayashi, Rika; Amos, Roger D.
err分享
err收藏
The SMFA program for quantum chemistry calculations on large molecules用于大分子量子化学计算的SMFA程序
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2019-03-01
err8
errOAAI
errKobayashi, Rika; Addicoat, Matthew A.; Gilbert, Andrew T. B.; Amos, Roger D.; Collins, Michael A.
err分享
err收藏
Feature Engineering for Materials Chemistry-Does Size Matter?
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-02-07
err7
PREAI
errAmos, Roger D.; Kobayashi, Rika
err分享
err收藏
THE EFFECT OF BASIS SET AND ELECTRON CORRELATION ON THE PREDICTED ELECTROSTATIC INTERACTIONS OF PEPTIDES
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err52
PREAI
errPRICE, SL; ANDREWS, JS; MURRAY, CW; AMOS, RD
err分享
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A THEORETICAL-STUDY OF THE REACTION OF GROUND-STATE SILICON WITH ETHYLENE AND ACETYLENE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err30
PREAI
errSU, MD; AMOS, RD; HANDY, NC
err分享
err收藏
2ND-ORDER PERTURBATION-THEORY AND CONFIGURATION-INTERACTION THEORY APPLIED TO MEDIUM-SIZED MOLECULES - CYCLOPROPANE, ETHYLENIMINE, ETHYLENE-OXIDE, FLUOROETHANE, AND ACETALDEHYDE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err41
PREAI
errSIMANDIRAS, ED; AMOS, RD; HANDY, NC; LEE, TJ; RICE, JE; REMINGTON, RB; SCHAEFER, HF
err分享
err收藏
THEORY OF VIBRATIONAL CIRCULAR-DICHROISM - TRANS-2,3-DIDEUTERIOOXIRANE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err43
PREAI
errJALKANEN, KJ; STEPHENS, PJ; AMOS, RD; HANDY, NC
err分享
err收藏
THEORY OF VIBRATIONAL CIRCULAR-DICHROISM - TRANS-1(S),2(S)-DICYANOCYCLOPROPANE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err41
PREAI
errJALKANEN, KJ; STEPHENS, PJ; AMOS, RD; HANDY, NC
err分享
err收藏
Nuclear shielding constants by density functional theory with gauge including atomic orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2000-08-22
err100
PREAI
errHelgaker, T; Wilson, PJ; Amos, RD; Handy, NC
err分享
err收藏

研究方向

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合作学者
合作期刊
H
Henry F. Schaefer
H 指数: 128 · 论文数: 2.2K
P
Philip J. Stephens
H 指数: 104 · 论文数: 856
N
Nicholas C. Handy
H 指数: 93 · 论文数: 482
T
Trygve Helgaker
H 指数: 87 · 论文数: 435
T
Timothy J. Lee
H 指数: 76 · 论文数: 458
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