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E

Edmond P. F. Lee

Hong Kong Polytechnic University

H指数:29

被引数:3,600

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A study of the atmospherically relevant reaction between dimethyl sulphide (DMS) and Cl2 in the absence and presence of water using electronic structure methods

采用电子结构方法研究水存在和缺失条件下，二甲基硫醚（DMS）与Cl2之间的大气相关反应

Phys. Chem. Chem. Phys.

IF2.9

2025-08-100

OA

Difluorocarbene Studied with Threshold Photoelectron Spectroscopy (TPES): Measurement of the First Adiabatic Ionization Energy (AIE) of CF2 (vol 14,, 11452, 2008)

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2020-11-110

OAAI

A study of the Group 1 metal tetra-aza macrocyclic complexes [M(Me4cyclen)(L)]+ using electronic structure calculations

DALTON TRANSACTIONS

IF3.3

2017-01-014

OAAI

Simulation of the photodetachment spectrum of HHfO- using coupled-cluster calculations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-12-220

OAAI

Simulation of the single-vibronic-level emission spectra of HAsO and DAsO

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-05-108

OAAI

Can Cyclen Bind Alkali Metal Azides? A DFT Study as a Precursor to Synthesis

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2016-02-162

OAAI

Simulation of the single-vibronic-level emission spectrum of HPS

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-05-208

OAAI

Simulated photodetachment spectra of AIH2-

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-07-015

OAAI

Regional and global impacts of Criegee intermediates on atmospheric sulphuric acid concentrations and first steps of aerosol formation

FARADAY DISCUSSIONS

IF3.1

2013-01-01116

PREAI

Rate coefficients of the CF3CHFCF3+H CF3CFCF3+H2 reaction at different temperatures calculated by transition state theory with ab initio and DFT reaction paths

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2012-11-0117

PREAI

Spectroscopy of the Simplest Criegee Intermediate CH2OO: Simulation of the First Bands in Its Electronic and Photoelectron Spectra

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2012-08-2162

PREAI

Development and testing of a compact basis set for use in effective core potential calculations on rhodium complexes

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2012-06-187

PREAI

Franck-Condon simulation, including anharmonicity, of the photodetachment spectrum of P2H-: Restricted-spin coupled-cluster single-double plus perturbative triple and unrestricted-spin coupled-cluster single-double plus perturbative triple-F12x potential energy functions of P2H and P2H-

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-09-305

OAAI

Theoretical study of Cl-RG (rare gas) complexes and transport of Cl- through RG (RG = He-Rn)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-07-148

OAAI

Franck-Condon Simulation of the Photoelectron Spectrum of AsCl2 and the Photodetachment Spectrum of AsCl2- Employing UCCSD(T)-F12a Potential Energy Functions: IE and EA of AsCl2

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2011-02-153

PREAI

Ab initio calculations on the (X)over-tilde 2B1 and (A)over-bar 2A1 states of AsH2, and Franck-Condon simulation, including anharmonicity, of the (A)over-tilde(0,0,0)-(X)over-tilde single vibronic level emission spectrum of AsH2

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2010-06-1711

OAAI

Theoretical study of the bonding in Mn+-RG complexes and the transport of Mn+ through rare gas, (M=Ca, Sr, and Ra; n=1 and 2; and RG=He-Rn)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2010-02-0345

PREAI

High-Level Ab Initio Calculations on HGeCl and the Equilibrium Geometry of the (A)over-tilde1A State Derived from Franck-Condon Analysis of the Single-Vibronic-Level Emission Spectra of HGeCl and DGeCl

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2009-06-047

PREAI

Theoretical study of Ban+-RG (RG=rare gas) complexes and transport of Ban+ through RG (n=1,2; RG=He-Rn)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-05-1945

PREAI

Franck-Condon Simulations including Anharmonicity of the (A)over-tilde1A-(X)over-tilde1A′ Absorption and Single Vibronic Level Emission Spectra of HSiCl and DSiCl

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2009-02-1214

PREAI