化学反応関連リンク集

(May. 30 2018 updated)

物理化学の学習に役立つサイト：

Yam@広島大 (広島大学・山崎先生による)
Monographシリーズ
土屋荘次著「はじめての化学反応論」（岩波書店）第一版の正誤表

分子科学会アーカイブス

物理化学データベース：

Molecular Propaties, Reaction Kinetics:
NIST Chemistry WebBook
NIST Chemical Kinetics Database
NIST-JANAF Thermochemical Tables
IUPAC: Task Group on Atmospheric Chemical Kinetic Data Evaluation

Spectra:
HITRAN / HITRANonline
LIFBASE
NIST Atomic Spectra Database
NIST Diatomic Spectral Database

Quantum Chemistry:
量子化学文献データベース(QCLDB II)

Others:
SciCentral: Best Physical & Chemical Sciences Online Resources
物理・化学データベースへのリンク (広島大学・三好先生による)

反応速度理論計算プログラム：

Unimolecular Rate theory/Master Equation solver
SSUMES (Steady-State Unimolecular Master-Equation Solver by Prof. A. Miyoshi.)
PAPR (Predictive Automated Phenomenological Rates by Dr. S. Klippenstein)
UNIMOL
VARIFLEX
Multiwell
ChemRate

Transition State Theory
GPOP (Gaussian post processor for thermodynamics and rate constants by Prof. A. Miyoshi.)
POLYRATE (Computer Program for the Calculation of Chemical Reaction Ratesfor Polyatomics
by Prof. D. G. Truhlar's group)
KINGAS (Calculation of kinetic data of gas-phase reactions by Dr. F. Battin-Leclerc's group)

化学熱力学推算
THERM (by Prof. J. W. Bozzelli's group)
THERGAS (Calculation of thermochemical properties of organic compounds in gas liquid phase
by Dr. F. Battin-Leclerc's group)

量子化学計算関連
ttymol (A Python program of Molecule Viewer/Editor on terminal (TTY) by Dr. A. Matsugi.)

物理化学・化学反応に関連する国際論文誌：

The Journal of Physical Chemistry A
The Journal of Physical Chemistry Letters
(American Chemical Society)
The Journal of Chemical Physics
Journal of Physical and Chemical Reference Data
(American Institute of Physics)
Physical Chemistry Chemical Physics
Faraday Discussions
(Royal Society of Chemistry, UK)
Chemical Physics Letters
Chemical Physics
(Elsevier)
International Journal of Chemical Kinetics
ChemPhysChem
(John Wiley & Sons)
Bulletin of Chemical Society of Japan
Chemistry Letters
(Chemical Society of Japan)