Optimization of the SREX reagent using a molecular-mechanics model.

被引：0

作者：

Hay, BP

Dietz, ML

Horwitz, EP

机构：

[1] Pacific NW Lab, Environm Mol Sci Lab, Richland, WA 99352 USA

[2] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2000年 / 219卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

165-IEC

引用

页码：U748 / U748

页数：1

共 50 条

[21] MODIFICATION OF THE MOLECULAR-MECHANICS METHOD FOR REALIZING THE INTERACTION OF CARBON STRUCTURES WITH POTASSIUM ATOMS
Kolesnikova, A. S.
Prihodchenko, K. A.
REPORTERS, MARKERS, DYES, NANOPARTICLES, AND MOLECULAR PROBES FOR BIOMEDICAL APPLICATIONS XII, 2020, 11256
[22] High throughput and multi-scale quantum-mechanics / molecular-mechanics calculations applied to lubricants
Righi, M. Clelia
Restuccia, Paolo
Fatti, Giulio
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
[23] AMIDE-I EXCITATIONS IN MOLECULAR-MECHANICS MODELS OF ALPHA-HELIX STRUCTURES
OLSEN, OH
SAMUELSEN, MR
PETERSEN, SB
NORSKOV, L
PHYSICAL REVIEW A, 1989, 39 (06) : 3130 - 3134
[24] A DATABASE OF 3-DIMENSIONAL STRUCTURES OF MONOSACCHARIDES FROM MOLECULAR-MECHANICS CALCULATIONS
PEREZ, S
DELAGE, MM
CARBOHYDRATE RESEARCH, 1991, 212 : 253 - 259
[25] On the estimation of mechanical properties of single-walled carbon nanotubes by using a molecular-mechanics based FE approach
Rossi, Marco
Meo, Michele
COMPOSITES SCIENCE AND TECHNOLOGY, 2009, 69 (09) : 1394 - 1398
[26] Hydrogen interaction with single-walled carbon nanotubes: A combined quantum-mechanics/molecular-mechanics study
Froudakis, GE
NANO LETTERS, 2001, 1 (04) : 179 - 182
[27] The directionality of d-orbitals and molecular-mechanics calculations of octahedral transition-metal compounds
Comba, P
Hambley, TW
Strohle, M
HELVETICA CHIMICA ACTA, 1995, 78 (08) : 2042 - 2047
[28] Molecular-mechanics modeling of steric effects: The ligand-repulsive energy parameter.
White, DP
Douglass, TW
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 219 : U740 - U740
[29] OPTIMIZATION OF A COMPLEX CHEMICAL PROCESS USING AN EQUATION ORIENTED MODEL.
Sarma, P.V.L.N.
Reklaitis, G.V.
Mathematical Programming Study, 1982, (20): : 113 - 160
[30] CONFORMATIONAL-ANALYSIS .118. APPLICATION OF MOLECULAR-MECHANICS METHOD TO ALCOHOLS AND ETHERS
ALLINGER, NL
CHUNG, DY
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (22) : 6798 - 6803

← 1 2 3 4 5 →