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Arpan Kundu

university of chicago

H指数:10

被引数:344

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Designing Optically Addressable Nitrogen-Vacancy Centers in Ultrasmall Nanodiamonds: Insights from First-Principles Calculations

设计可光学寻址的氮空位中心于超小纳米金刚石：第一性原理计算的见解

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

IF4.6

2025-02-170

OA

Supercritical Water: Density-Independent Angular Jumps

超临界水：密度无关的角跃迁

JOURNAL OF PHYSICAL CHEMISTRY B

IF2.9

2024-12-311

PRE

Quantum Vibronic Effects on the Electronic Properties of Molecular Crystals

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-06-283

OAAI

Ab Initio Prediction of Adsorption Selectivities for Binary Gas Mixtures on a Heterogeneous Metal-Organic Framework Surface

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-06-275

PRE

Computational Protocol to Evaluate Electron-Phonon Interactions Within Density Matrix Perturbation Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-09-2010

OAAI

Influence of nuclear quantum effects on the electronic properties of amorphous carbon

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2022-07-1511

OAAI

Combined First-Principles Calculations of Electron-Electron and Electron-Phonon Self-Energies in Condensed Systems

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-12-019

OA

Quantum vibronic effects on the electronic properties of solid and molecular carbon

PHYSICAL REVIEW MATERIALS

IF3.4

2021-07-2620

OA

Predicting adsorption selectivities from pure gas isotherms for gas mixtures in metal-organic frameworks

CHEMICAL SCIENCE

IF7.4

2020-01-0124

OAAI

Ab Initio Adsorption Isotherms for Molecules with Lateral Interactions: CO2 in Metal-Organic Frameworks

具有横向相互作用的分子的从头算吸附等温线: 金属有机框架中的CO2

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-06-0640

PREAI

Ab Initio Prediction of Adsorption Isotherms for Small Molecules in Metal-Organic Frameworks

金属-有机框架中小分子吸附等温线的从头算预测

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2016-10-1763

OAAI