Volume 24; Issue 6

Journal of Molecular Modeling

Volume 24; Issue 6

1

A study of the aromaticity of heteroannelated cyclooctatetraene derivatives

Abdukadir, Ablimit, Mattursun, Aygul, Kerim, Ablikim, Omar, Kamalbek, Hushur, Lutpulla

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.10 MB

english, 2018

2

In-silico analysis of substituent effect on the static first order hyperpolarizability of electron donating mono substituted Chalcone derivatives

Nair, Lakshmi C. S., Balachandran, S., Arul Dhas, D., Hubert Joe, I.

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.95 MB

english, 2018

3

Mechanism for the depolymerization of cellulose under alkaline conditions

Shao, Chunfu, Shi, Kunpeng, Hua, Qingyuan, Zhang, Liming, Dai, Yujie, You, Wei, Liu, Yang, Li, Changwen, Zhang, Chaozheng

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.79 MB

english, 2018

4

An improved stochastic fractal search algorithm for 3D protein structure prediction

Zhou, Changjun, Sun, Chuan, Wang, Bin, Wang, Xiaojun

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.69 MB

english, 2018

5

Microwave effects on NiMoS and CoMoS single-sheet catalysts

Borges, I., Silva, Alexander M., Modesto-Costa, Lucas

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

6

Resonance bonding in XNgY (X = F, Cl, Br, I; Ng = Kr or Xe; Y = CN or NC) molecules: an NBO/NRT investigation

Song, Junjie, Su, Yue, Jia, Yanping, Chen, Lusheng, Zhang, Guiqiu

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.76 MB

english, 2018

7

Theoretical study of hydrogen storage in metal hydrides

Oliveira, Alyson C. M., Pavão, A. C.

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.37 MB

english, 2018

8

Exploring the effect of oxygen-containing functional groups on the water-holding capacity of lignite

Liu, Jie, Jiang, Xiangang, Cao, Yu, Zhang, Chen, Zhao, Guangyao, Zhao, Maoshuang, Feng, Li

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.43 MB

english, 2018

9

In silico docking and molecular dynamics simulation of 3-dehydroquinate synthase (DHQS) from Mycobacterium tuberculosis

Isa, Mustafa Alhaji, Majumdhar, Rita Singh, Haider, Shazia

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 3.72 MB

english, 2018

10

A computational investigation on the antioxidant potential of myricetin 3,4′-di-O-α-L-rhamnopyranoside

Mendes, Rodrigo A., Almeida, Shawan K. C., Soares, Iuri N., Barboza, Cristina A., Freitas, Renato G., Brown, Alex, de Souza, Gabriel L. C.

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.24 MB

english, 2018

11

Electronic structure, mechanical and thermodynamic properties of BaPaO3 under pressure

Khandy, Shakeel Ahmad, Islam, Ishtihadah, Gupta, Dinesh C., Laref, Amel

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.52 MB

english, 2018

12

Simulating the unimolecular decomposition pathways of cyclotrimethylnitramine (RDX)

Pahari, P., Warrier, M., Rao, A. D. P.

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.97 MB

english, 2018

13

Substituent effect of the stacking interaction between carbon monoxide and benzene

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.15 MB

english, 2018

14

Insight into hydrogen bonds and characterization of interlayer spacing of hydrated graphene oxide

Liu, Liyan, Zhang, Ruifeng, Liu, Ying, Tan, Wei, Zhu, Guorui

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.22 MB

english, 2018

15

Construction of a molecular structure model of mild-oxidized Chinese lignite using Gaussian09 based on data from FTIR, solid state 13C-NMR

Lu, Youzhi, Feng, Li, Jiang, Xiangang, Zhao, Yingya, Zhao, Guangyao, Yuan, Chuanzhou

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.75 MB

english, 2018

16

Molecular dynamics simulation of the folding of single alkane chains with different lengths on single-walled carbon nanotubes and graphene

Liu, Yan Fang, Yang, Hua, Zhang, Hui

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 3.12 MB

english, 2018

17

On bond-critical points in QTAIM and weak interactions

Wick, Christian R., Clark, Timothy

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.74 MB

english, 2018

18

Theoretical investigations into the intermolecular hydrogen-bonding interactions of N-(hydroxymethyl)acetamide dimers

Tang, Hai-fei, Zhong, Hua, Zhang, Ling-ling, Gong, Ming-xing, Song, Shu-qin, Tian, Qing-ping

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 2.00 MB

english, 2018

19

Benchmark of different charges for prediction of the partitioning coefficient through the hydrophilic/lipophilic index

Fizer, Oksana, Fizer, Maksym, Sidey, Vasyl, Studenyak, Yaroslav, Mariychuk, Ruslan

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.73 MB

english, 2018

20

Blue M2: an intermediate melanoidin studied via conceptual DFT

Frau, Juan, Glossman-Mitnik, Daniel

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 1.48 MB

english, 2018

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Tor version

Z-Library

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски