Works matching Mathematical models of molecular structure

Results: 27

Link between Density and Molecular Structures of Energetic Azido Compounds as Green Plasticizers.

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2016, v. 642, n. 24, p. 1472, doi. 10.1002/zaac.201600293

By:

Zohari, Narges;
Sheibani, Nasser

Publication type:

Article

Erratum to: Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures.

Published in:

2015

By:

Zhang, Bijun;
Vogt, Martin;
Maggiora, Gerald;
Bajorath, Jürgen

Publication type:

Erratum

Statistical analysis of EGFR structures' performance in virtual screening.

Published in:

Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 11, p. 1045, doi. 10.1007/s10822-015-9877-9

By:

Li, Yan;
Li, Xiang;
Dong, Zigang

Publication type:

Article

BOUNDS FOR THE GEOMETRIC-ARITHMETIC INDEX OF A GRAPH.

Published in:

Miskolc Mathematical Notes, 2015, v. 16, n. 2, p. 1199, doi. 10.18514/MMN.2015.1423

By:

SIGARRETA, JOSÉ M.

Publication type:

Article

Zagreb indices of graphs.

Published in:

Frontiers of Mathematics in China, 2015, v. 10, n. 3, p. 567, doi. 10.1007/s11464-015-0431-9

By:

Das, Kinkar;
Xu, Kexiang;
Nam, Junki

Publication type:

Article

Transient Magnetic Tunneling Mediated by a Molecular Bridge.

Published in:

Journal of Superconductivity & Novel Magnetism, 2015, v. 28, n. 3, p. 1087, doi. 10.1007/s10948-014-2702-1

By:

Kalvová, A.;
Špička, V.;
Velický, B.

Publication type:

Article

Density Functional Theory (DFT) Study of Triphenylamine-Based Dyes for Their Use as Sensitizers in Molecular Photovoltaics.

Published in:

International Journal of Molecular Sciences, 2012, v. 13, n. 4, p. 4418, doi. 10.3390/ijms13044418

By:

Baldenebro-López, Jesús;
Castorena-González, José;
Flores-Holguín, Norma;
Almaral-Sánchez, Jorge;
Glossman-Mitnik, Daniel

Publication type:

Article

Unicyclic and bicyclic graphs with minimal augmented Zagreb index.

Published in:

Journal of Inequalities & Applications, 2015, v. 2015, n. 1, p. 1, doi. 10.1186/s13660-015-0651-2

By:

Zhan, Fuqin;
Qiao, Youfu;
Cai, Junliang

Publication type:

Article

Systems Biology for Biologists.

Published in:

PLoS Pathogens, 2015, v. 11, n. 5, p. 1, doi. 10.1371/journal.ppat.1004786

By:

Hillmer, Rachel A.

Publication type:

Article

Simple Stochastic Fingerprints Towards Mathematical Modeling in Biology and Medicine 2. Unifying Markov Model for Drugs Side Effects.

Published in:

Bulletin of Mathematical Biology, 2006, v. 68, n. 7, p. 1527, doi. 10.1007/s11538-005-9013-4

By:

Cruz-Monteagudo, Maykel;
González-Díaz, Humberto;
Uriarte, Eugenio

Publication type:

Article

Topological analysis of tetracyanobenzene metal–organic framework.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-52194-1

By:

Al-Dayel, Ibrahim;
Nadeem, Muhammad Faisal;
Khan, Meraj Ali

Publication type:

Article

Chemical applicability and computation of K-Banhatti indices for benzenoid hydrocarbons and triazine-based covalent organic frameworks.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-45061-y

By:

Shanmukha, M. C.;
Ismail, Rashad;
Gowtham, K. J.;
Usha, A.;
Azeem, Muhammad;
Al-Sabri, Esmail Hassan Abdullatif

Publication type:

Article

Chemical applicability and computation of K-Banhatti indices for benzenoid hydrocarbons and triazine-based covalent organic frameworks.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-45061-y

By:

Shanmukha, M. C.;
Ismail, Rashad;
Gowtham, K. J.;
Usha, A.;
Azeem, Muhammad;
Al-Sabri, Esmail Hassan Abdullatif

Publication type:

Article

Quantitative structure-activity relationship of molecules constituent of different essential oils with antimycobacterial activity against Mycobacterium tuberculosis and Mycobacterium bovis.

Published in:

BMC Complementary & Alternative Medicine, 2015, v. 15, n. 1, p. 1, doi. 10.1186/s12906-015-0858-2

By:

Andrade-Ochoa, Sergio;
Nevárez-Moorillón, Guadalupe Virginia;
Sánchez-Torres, Luvia E.;
Villanueva-García, Manuel;
Sánchez-Ramírez, Blanca E.;
Rodríguez-Valdez, Luz María;
Rivera-Chavira, Blanca E.

Publication type:

Article

Modeling the flammability characteristics of polymers using quantitative structure-property relationships ( QSPR).

Published in:

Polymer Engineering & Science, 2015, v. 55, n. 7, p. 1553, doi. 10.1002/pen.24093

By:

Parandekar, Priya V.;
Browning, Andrea R.;
Prakash, Om

Publication type:

Article

Multiscale modeling and mechanics of filamentous actin cytoskeleton.

Published in:

Biomechanics & Modeling in Mechanobiology, 2012, v. 11, n. 3/4, p. 291, doi. 10.1007/s10237-011-0317-z

By:

Yamaoka, Hidetaka;
Matsushita, Shinji;
Shimada, Yoshitaka;
Adachi, Taiji

Publication type:

Article

Prediction of Flow Effect on Crystal Growth of Semi-Crystalline Polymers Using a Multi-Scale Phase-Field Approach.

Published in:

Polymers (20734360), 2017, v. 9, n. 12, p. 634, doi. 10.3390/polym9120634

By:

Xiaodong Wang;
Jie Ouyang;
Ying Liu

Publication type:

Article

A Multiscale Fractal Approach for Determining Cushioning Curves of Low-Density Polymer Foams.

Published in:

Fractal & Fractional, 2025, v. 9, n. 1, p. 32, doi. 10.3390/fractalfract9010032

By:

Bravo-Sánchez, Mariela C.;
Palacios-Pineda, Luis M.;
Gómez-Color, José L.;
Martínez-Romero, Oscar;
Perales-Martínez, Imperio A.;
Olvera-Trejo, Daniel;
Estrada-Díaz, Jorge A.;
Elías-Zúñiga, Alex

Publication type:

Article

The Dynamic State of a Pseudo-Crystalline Structure of B42 Molecules.

Published in:

Crystals (2073-4352), 2020, v. 10, n. 6, p. 510, doi. 10.3390/cryst10060510

By:

Bubenchikov, Alexey;
Bubenchikov, Mikhail;
Mamontov, Dmitriy

Publication type:

Article

Structural modeling and topological characterization of three kinds of dendrimer networks.

Published in:

European Physical Journal E -- Soft Matter, 2023, v. 46, n. 5, p. 1, doi. 10.1140/epje/s10189-023-00297-4

By:

Zaman, Shahid;
Ullah, Asad;
Shafaqat, Afia

Publication type:

Article

Degree Based Topological Indices In Qspr Analysis Of Flavonoids.

Published in:

Library of Progress-Library Science, Information Technology & Computer, 2024, v. 44, n. 3, p. 16279

By:

Priyadharsini, G.;
Amutha, R.;
Sangeetha, N.;
Amudhamalar, V.

Publication type:

Article

Zagreb Connection Numbers for Cellular Neural Networks.

Published in:

Discrete Dynamics in Nature & Society, 2020, p. 1, doi. 10.1155/2020/8038304

By:

Liu, Jia-Bao;
Raza, Zahid;
Javaid, Muhammad

Publication type:

Article

MATHEMATICAL MODELLING OF AN INDUSTRIAL FURNACE FOR HIGH-TEMPERATURE HEAT TREATMENT OF WOOD.

Published in:

Canadian Journal of Chemical Engineering, 2008, v. 86, n. 4, p. 693, doi. 10.1002/cjce.20088

By:

Osma, Afet Aysegul;
Kocaefe, Duygu;
Kocaefe, Yasar S.

Publication type:

Article

In vitro and in silico studies of terpenes, terpenoids and related compounds with larvicidal and pupaecidal activity against <italic>Culex quinquefasciatus</italic> Say (Diptera: <italic>Culicidae</italic>).

Published in:

Chemistry Central Journal, 2018, v. 12, n. 1, p. 1, doi. 10.1186/s13065-018-0425-2

By:

Andrade-Ochoa, S.;
Correa-Basurto, J.;
Rodríguez-Valdez, L. M.;
Sánchez-Torres, L. E.;
Nogueda-Torres, B.;
Nevárez-Moorillón, G. V.

Publication type:

Article

Information content of molecular graph and prediction of gas phase thermal entropy of organic compounds.

Published in:

Journal of Mathematical Chemistry, 2013, v. 51, n. 10, p. 2718, doi. 10.1007/s10910-013-0233-9

By:

Raychaudhury, Chandan;
Pal, Debnath

Publication type:

Article

Application to QSAR studies of 2-furylethylene derivatives.

Published in:

Journal of Mathematical Chemistry, 2009, v. 45, n. 2, p. 442, doi. 10.1007/s10910-008-9417-0

By:

Moldovan, Cristina D.;
Costescu, Adina;
Katona, Gabriel;
Diudea, Mircea V.

Publication type:

Article

Using normal mode analysis in teaching mathematical modeling to biology students.

Published in:

Mathematical Modelling of Natural Phenomena, 2011, v. 6, n. 6, p. 278, doi. 10.1051/mmnp/20116615

By:

Kondrashov, D. A.

Publication type:

Article