未登录

D

Deborah L. Crittenden

University of Canterbury

H指数:22

被引数:4,210

个人简介

暂无内容

教育背景

暂无内容

工作经历

暂无内容

荣誉奖项

暂无内容

Doing the basics well: An assessment of meta-generalised-gradient density functional theories using chemically-diverse two-electron model systems

做好基础工作：使用化学多样性双电子模型系统评估元广义梯度密度泛函理论

Chemical Physics Letters

IF3.1

2026-08-010

OAAI

Experimental and Computational Elucidation of Protic Redox Reaction Mechanisms

实验与计算方法解析质子氧化还原反应机理

ChemElectroChem

IF3.5

2026-06-220

OAAI

Ionowaxes on Porous Polymer Supports Form Cheap, Robust and Exquisitely Selective Proton-Conducting Membranes

离子蜡在多孔聚合物支撑体上形成廉价、坚固且高度选择性的质子传导膜

IF0

2026-04-210

OAAI

Predicting protic redox potentials with computational error bars

预测质子氧化还原电位及其计算误差范围

Computational and Theoretical Chemistry

IF2.8

2025-11-190

OAAI

CO2 hydrogenation to methanol via ZnO-SBA-15 supported Cu6 catalyst

通过ZnO-SBA-15负载的Cu6催化剂将CO2加氢制甲醇

Phys. Chem. Chem. Phys.

IF2.9

2025-07-230

PRE

Redox Behaviour and Redox Potentials of Dyes in Aqueous Buffers and Protic Ionic Liquids

染料在水性缓冲液和质子离子液体中的氧化还原行为和氧化还原电位

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2024-08-121

PRE

Acid-Base Chemistry Provides a Simple and Cost-Effective Route to New Redox-Active Ionic Liquids

CHEMISTRY-AN ASIAN JOURNAL

IF3.3

2023-01-312

OAAI

Hydrogen Delocalization in an Asymmetric Biomolecule: The Curious Case of Alpha-Fenchol

IF4.6

2021-12-241

OAAI

New atoms-in-molecules dispersion models for use in ab initio derived force fields

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-03-021

PREAI

Optical Detection of CoV-SARS-2 Viral Proteins to Sub-Picomolar Concentrations

IF4.3

2021-02-2338

OAAI

Experimental Validation of a Computational Screening Approach to Predict Redox Potentials for a Diverse Variety of Redox-Active Organic Molecules

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-10-2112

PREAI

Ab Initio Calculation of Total X-ray Scattering from Molecules

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-03-1538

OAAI

Predicting the Outcome of Photocyclisation Reactions: A Joint Experimental and Computational Investigation

CHEMISTRY-AN ASIAN JOURNAL

IF3.3

2019-02-203

OAAI

Comparing the accuracy of perturbative and variational calculations for predicting fundamental vibrational frequencies of dihalomethanes

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-02-2219

OAAI

Balancing accuracy and efficiency in selecting vibrational configuration interaction basis states using vibrational perturbation theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-08-1126

PREAI

An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinates

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-06-038

OAAI

PyVCI: A flexible open-source code for calculating accurate molecular infrared spectra

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2016-06-0123

PREAI

Multifunctional and Stable Monolayers on Carbon: A Simple and Reliable Method for Backfilling Sparse Layers Grafted from Protected Aryldiazonium Ions

IF3.9

2016-03-0721

PREAI

Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2015-12-0129

OA

Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-11-1711

OAAI