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P

Per Hyldgaard

chalmers university of technology

H指数:39

被引数:7,954

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Wafer-scale single-crystalline graphene transferred from SiC exhibiting Landau quantization

SiC衬底上转移的晶圆级单晶石墨烯表现出朗道量子化

IF11.6

2026-08-120

OAAI

Density functional theory prediction of a novel hybrid organic-inorganic bidentate perovskite with charge transport perpendicular to the inorganic layer

基于密度泛函理论预测的一种新型有机-无机双齿配位钙钛矿，其电荷传输方向垂直于无机层

Materials Advances

IF4.7

2026-05-010

OA

Nature of frontier quasi-particle states in nitrogen-base systems

氮基体系中前沿准粒子态的性质

phys. chem. chem. phys.

IF0

2026-01-060

OAAI

Polyvinyl fluoride: Predicting polarization in a complex soft matter system

PHYSICAL REVIEW MATERIALS

IF3.4

2024-11-050

OA

Quantifying Atomic Volume, Partial Charge, and Electronegativity in Condensed Phases

量化凝聚相中的原子体积，部分电荷和电负性

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-02-230

OA

A Density Functional Theory for the Average Electron Energy

平均电子能量的密度泛函理论

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-01-244

OAAI

Stability of and conduction in single-walled Si2BN nanotubes

PHYSICAL REVIEW MATERIALS

IF3.4

2022-11-027

OA

Accurate Nonempirical Range-Separated Hybrid van der Waals Density Functional for Complex Molecular Problems, Solids, and Surfaces

PHYSICAL REVIEW X

IF15.7

2022-10-1015

OA

An assessment of density functionals for predicting CO2 adsorption in diamine-functionalized metal-organic frameworks

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-04-1910

PRE

BaZrO3 stability under pressure: The role of nonlocal exchange and correlation

PHYSICAL REVIEW B

IF3.7

2020-06-0413

OA

Unraveling the Ground-State Structure of BaZrO3 by Neutron Scattering Experiments and First-Principles Calculations

CHEMISTRY OF MATERIALS

IF7

2020-03-2446

OAAI

Ab initio investigation of monoclinic phase stability and martensitic transformation in crystalline polyethylene

PHYSICAL REVIEW MATERIALS

IF3.4

2018-07-1016

OAAI

Extent of Fock-exchange mixing for a hybrid van der Waals density functional?

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-05-2119

OAAI

First-principles study of the binding energy between nanostructures and its scaling with system size

PHYSICAL REVIEW B

IF3.7

2018-04-1914

OAAI

Signatures of van der Waals binding: A coupling-constant scaling analysis

PHYSICAL REVIEW B

IF3.7

2018-02-1217

OAAI

Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-06-2141

OAAI

Finite-temperature properties of nonmagnetic transition metals: Comparison of the performance of constraint-based semilocal and nonlocal functionals

PHYSICAL REVIEW B

IF3.7

2017-02-2740

OAAI

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations

IF6.6

2016-06-0244

PREAI

Structural and excited-state properties of oligoacene crystals from first principles

PHYSICAL REVIEW B

IF3.7

2016-03-22104

OAAI

Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-02-1689

OAAI