APPLYING THE GENETIC ALGORITHM AND QUANTUM CHEMICAL CALCULATIONS TO STUDY THE STRUCTURE OF THE Sc2B6 CLUSTER AND ITS CO ADSORPTION

QR Code (код быстрого отклика)

APPLYING THE GENETIC ALGORITHM AND QUANTUM CHEMICAL CALCULATIONS TO STUDY THE STRUCTURE OF THE Sc2B6 CLUSTER AND ITS CO ADSORPTION

We used the genetic algorithm and quantum chemical calculations to study the structures of the Sc2B6 cluster. The global minimum energy structure has the shape of a hexagonal bipyramid with an Sc atom at each apex and a B6 ring that belongs to the D6h point group symmetry. The second most stable str...

Полное описание

Сохранить в:

Библиографические подробности
Главные авторы:	Nguyen, Minh Thao, Bui, Tho Thanh, Phan, Trung Cang, Ho, Sy Linh
Формат:	Статья
Язык:	English
Опубликовано:	Trường Đại học Đà Lạt 2024
Предметы:	CO adsorption Density functional theory Genetic algorithm
Online-ссылка:	https://scholar.dlu.edu.vn/thuvienso/handle/DLU123456789/256914 https://tckh.dlu.edu.vn/index.php/tckhdhdl/article/view/1312
Метки:	Добавить метку Нет меток, Требуется 1-ая метка записи!

Thư viện lưu trữ:	Thư viện Trường Đại học Đà Lạt

Схожие документы

Nghiên cứu cấu trúc, độ bền và khả năng hấp phụ khí CO của cluster Au3X(-1/0/1) (X = Sc, Y) /
по: Nguyễn Quốc Cường.

The practical genetic algorithms, applications
Опубликовано: (2001)

Practical handbook of genetic algorithms.
Опубликовано: (1995)

Practical handbook of genetic algorithms.
Опубликовано: (1995)

Practical handbook of genetic algorithms.
Опубликовано: (1995)

Practical handbook of genetic algorithms.
Опубликовано: (1995)

Genetic algorithms in optimisation simulation and modelling
Опубликовано: (1994)

Parallel genetic algorithm-tabu search using PC cluster system for optimal reconfiguration of distribution systems /
по: Mun, Kyeong-Jun.

A paralle genetic algorithm for the set partitioning problem /
по: Levine, David.
Опубликовано: (1994)

Multimodel partitioning filters and genetic algorithms /
по: Berketis, Konstantinos G.

An evolutionary genetic algorithm for optimization of distributed database queries /
по: Sevinc, Ender.

A new hybrid genetic algorithm for global optimization /
по: Sotiropoulos, D. G.

A chemist's guide to density functional theory
по: Koch, Wolfram
Опубликовано: (2001)

Density functional theory of atoms and molecules
по: Parr, Robert G.
Опубликовано: (1989)

Activated carbon adsorption
по: Bansal, Roop Chand
Опубликовано: (2005)

Distribution system reconfiguration using the PC cluster based parallel adaptive evolutionary algorithm /

Speech recognition using the model structure determined by the genetic algorithm /
по: Takara, Tomio.

Algorithms for clustering data /
по: Jain, Anil K., 1948-
Опубликовано: (1988)

Collagen fiber immobilized myrica rubra tannin and its adsorption to /

Optimizing the rule curves of multi-use reservoir operation using a genetic algorithm with a penalty strategy
по: Trieu, Anh Ngoc

Expanded bed adsorption :
Опубликовано: (1997)

Genetic and Evolutionary Computing
по: Sun, H, et al.
Опубликовано: (2015)

Rule extraction from trained neural networks using genetic algorithms /
по: Arbatli, A. Duygu.

Novel computational methods for nanostructure electronic structure calculations /
по: Wang, Lin-Wang.

Unit commitment by a genetic algorithm /
по: Cai, Xiao-Qiang.

A level crossing density estimation method /
по: Huang, Mei Ling.

The diabatic picture of electron transfer, reaction barriers, and molecular dynamics /

Density Functionals: Thermochemistry
по: Johnson, Erin R
Опубликовано: (2015)

Optimal measurement placement for static harmonic state estimation in the power systems based on genetic algorithm /
по: Dehkordi, Behzad Mirzaeian.

Numerical computational method using genetic algorithm for the optimal control problem with terminal constraints and free parameters /
по: Yamashita, Yuh.

Multistage classifiers optimized by neural networks and genetic algorithms /

Heterogeneous adsorption of 1-indanol on cellulose tribenzoate and adsorption energy distribution of the two enantiomers /

Proceedings of the genetic and evolutionary computation conference.
Опубликовано: (2002)

Spherical functions and local densities on hermitian forms /
по: Hironaka, Yumiko.

Computing the Optical Properties of Large Systems
по: Zuehlsdorff, Tim
Опубликовано: (2016)

Handbook of applied algorithms :
Опубликовано: (2008)

Thermodynamics of nitroaromatic compound adsorption from water by smectite clay /

Applying multiobjective genetic algorithm to analyze the conflict among different water use sectors during drought period /
по: Chang, Liang-Cheng.

A self-stabilizing o(k)-time k-clustering algorithm /
по: Datta, Ajoy K.

Foundations of Genetic Algorithms
по: Stephens, Christopher R., et al.
Опубликовано: (2020)