Assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: a recommended new procedure

被引：0

|

作者：

Mayer, Paul M.

Parkinson, Christopher J.

Smith, David M.

Radom, Leo

机构：

来源：

Journal of Chemical Physics | 1998年 / 108卷 / 02期

关键词：

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

收藏

相关论文

共 37 条

[21] Three-dimensional free-radical polymerization of vinyl monomers in the presence of oxygen as a new method of preparing hyperbranched polymers: A theoretical calculation
S. A. Kurochkin
V. P. Grachev
G. V. Korolev
Polymer Science Series A, 2008, 50 : 921 - 941
[22] Assessment of the free radical scavenging potential of cannabidiol under physiological conditions: Theoretical and experimental investigations
Boulebd, Houssem
Pereira, David M.
Khodja, Imene Amine
Nguyen Thi Hoa
Mechler, Adam
Vo, Quan V.
JOURNAL OF MOLECULAR LIQUIDS, 2022, 346
[23] Basic hydrolysis of formamide in aqueous solution: a reliable theoretical calculation of the activation free energy using the cluster-continuum model
Pliego, JR
CHEMICAL PHYSICS, 2004, 306 (1-3) : 273 - 280
[24] ASSESSMENT OF A NEW SIMULTANEOUS PROCEDURE TO DETERMINE TOTAL THYROXINE AND FREE-THYROXINE INDEX
VALVERDE, N
AVILA, MG
MAASS, R
PATOLOGIA-MEXICO CITY, 1976, 14 (04): : 299 - 304
[25] FDTD calculation of the SAR induced in the human head by mobile phones - new standards and procedures for the numerical assessment
Manteuffel, D
Simon, W
2005 IEEE INTERNATIONAL WORKSHOP ON ANTENNA TECHNOLOGY: SMALL ANTENNAS NOVEL METAMATERIALS, PROCEEDINGS, 2005, : 137 - 140
[26] Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures (vol 111A, pg 13638, 2007)
Menon, Ambili S.
Wood, Geoffrey P. F.
Moran, Damian
Radom, Leo
JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (24): : 5554 - 5554
[27] Free energy calculation methods: A theoretical and empirical comparison of numerical errors and a new method for qualitative estimates of free energy changes
Radmer, RJ
Kollman, PA
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1997, 18 (07) : 902 - 919
[28] Free Energy Calculation Methods: A Theoretical and Empirical Comparison of Numerical Errors and a New Method for Qualitative Estimates of Free Energy Changes
J Comput Chem, 7 (902):
[29] NEW PROCEDURE FOR THE TRANSFORMATION OF ALCOHOLS TO ALKYL-HALIDES VIA XANTHATE ESTERS AND FREE-RADICAL INTERMEDIATES
CRISTOL, SJ
SEAPY, DG
JOURNAL OF ORGANIC CHEMISTRY, 1982, 47 (01): : 132 - 136
[30] Rate enhancement and retardation strategies in living free radical polymerizations mediated by nitroxides and other persistent species: A theoretical assessment
Souaille, M
Fischer, H
MACROMOLECULES, 2002, 35 (01) : 248 - 261

← 1 2 3 4 →