Application of force field parameters estimated by badger model to molecular electron diffraction analysis

被引：0

作者：

Tarasov, YI ^{[1
]}

Tyulin, VI ^{[1
]}

Spiridonov, VP ^{[1
]}

机构：

[1] Moscow State Univ, Chair Phys Chem, Moscow, Russia

来源：

VESTNIK MOSKOVSKOGO UNIVERSITETA SERIYA 2 KHIMIYA | 1997年 / 38卷 / 04期

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：219 / 222

页数：4

共 50 条

[1] Optimal determination of force field parameters for reduced molecular dynamics model
Kim, Hyun-Seok
Kim, Jae-Hyun
Cha, Song-Hyun
Cho, Seonho
COMPUTER PHYSICS COMMUNICATIONS, 2019, 236 : 86 - 94
[2] DETERMINATION OF FORCE-FIELD PARAMETERS FOR MOLECULAR SIMULATION BY MOLECULAR SIMULATION - AN APPLICATION OF THE WEAK-COUPLING METHOD
NJO, SL
VANGUNSTEREN, WF
MULLERPLATHE, F
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (15): : 6199 - 6207
[3] Determination of force field parameters for molecular simulation by molecular simulation. An application of the weak-coupling method
J Chem Phys, 15 (6199):
[4] Evolving molecular force field parameters for Si and Ge
Globus, A
Menon, M
Ricks, E
Srivastava, D
NANOTECH 2003, VOL 2, 2003, : 516 - 519
[5] Development of Force Field Parameters for Molecular Simulation of Polylactide
McAliley, James H.
Bruce, David A.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (11) : 3756 - 3767
[6] The force field and molecular structure of dimethylsulfoxide from spectroscopic and gas electron diffraction data and ab initio calculations
Typke, V
Dakkouri, M
JOURNAL OF MOLECULAR STRUCTURE, 2001, 599 (1-3) : 177 - 193
[7] Application of Kihara parameters in conventional molecular force fields
Lim, Teik-Cheng
JOURNAL OF MATHEMATICAL CHEMISTRY, 2010, 48 (02) : 363 - 369
[8] Application of Kihara parameters in conventional molecular force fields
Teik-Cheng Lim
Journal of Mathematical Chemistry, 2010, 48 : 363 - 369
[9] Genetic Algorithm Optimization of Force Field Parameters: Application to a Coarse-Grained Model of RNA
Leonarski, Filip
Trovato, Fabio
Tozzini, Valentina
Trylska, Joanna
EVOLUTIONARY COMPUTATION, MACHINE LEARNING AND DATA MINING IN BIOINFORMATICS, 2011, 6623 : 147 - +
[10] MOLECULAR-STRUCTURE AND FORCE-FIELD OF SILICON DICHLORIDE AND SILICON DIBROMIDE FROM JOINT ANALYSIS OF VIBRATIONAL SPECTROSCOPIC AND ELECTRON-DIFFRACTION DATA
GERSHIKOV, AG
SUBBOTINA, NY
HARGITTAI, M
JOURNAL OF MOLECULAR SPECTROSCOPY, 1990, 143 (02) : 293 - 303

← 1 2 3 4 5 →