Kai-Chung Lau

City University of Hong Kong

Projects

Accurate ab initio determinations of thermochemistry of novel molecular radicals, cations and neutrals of relevance to combustion, environmental, and atmospheric chemistry

Lead Institution

University of California, Davis

Principal Investigator

Cheuk-Yiu Ng

Project type

Capability Research

This proposal is to carry out high-level ab initio electronic structure calculations to study the chemistry of novel molecular systems such as radicals, cations and neutrals, which are relevant to…

(gc3565)Reliable Electronic Structure Prediction of Molecular Properties

Lead Institution

University of Alabama

Principal Investigator

David Dixon

Project type

Capability Research

The area of environmental chemical science is dominated by issues of scaling in space and time. The goal of environmental science is to understand the current state of the environment based on our…

Accurate ab initio determinations of thermochemical properties of environmental and biological molecular systems for benchmarking with experiments

Lead Institution

University of California, Davis

Principal Investigator

Cheuk-Yiu Ng

Project type

Capability Research

We propose to carry out high-level ab initio electronic structure calculations to study the chemistry of environmentally and biologically important molecular systems, which are relevant to the…