Cover Feature: A Computational Design of Covalently Bonded Mixed Stacking Cocrystals (ChemPlusChem 5/2025).
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- ChemPlusChem, 2025, v. 90, n. 5, p. 1, doi. 10.1002/cplu.202580502
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Works by Truong, Thanh N.
Results: 20
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A Computational Design of Covalently Bonded Mixed Stacking Cocrystals.
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- ChemPlusChem, 2025, v. 90, n. 5, p. 1, doi. 10.1002/cplu.202500028
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- Article
3
Computational Design of 3D Lantern Organic Framework.
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- Chemistry - A European Journal, 2024, v. 30, n. 61, p. 1, doi. 10.1002/chem.202402383
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- Article
4
Computational Science and Engineering On-line: an integrated web-based environment for multi-scale modelling of complex reaction systems.
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- Molecular Physics, 2004, v. 102, n. 4, p. 353, doi. 10.1080/00268970310001649392
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- Article
5
A cyberenvironment for crystallography and materials science and an integrated user interface to the Crystallography Open Database and Predicted Crystallography Open Database.
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- Journal of Applied Crystallography, 2008, v. 41, n. 2, p. 471, doi. 10.1107/S0021889808000381
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- Article
6
Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases.
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- PLoS Computational Biology, 2010, v. 6, n. 9, p. 1, doi. 10.1371/journal.pcbi.1000939
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- Article
7
Quantum modelling of reactions in solution: an overview of the dielectric continuum methodology.
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- International Reviews in Physical Chemistry, 1998, v. 17, n. 4, p. 525, doi. 10.1080/014423598230045
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- Article
8
Kinetics of the hydrogen abstraction R−OH + H → R.
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- International Journal of Chemical Kinetics, 2011, v. 43, n. 2, p. 78, doi. 10.1002/kin.20531
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- Article
9
Kinetics of the hydrogen abstraction R&bond;OH + H → R&bond;O<sup>•</sup> + H<sub>2</sub> reaction class.
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- International Journal of Chemical Kinetics, 2010, v. 42, n. 7, p. 414, doi. 10.1002/kin.20491
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- Article
10
Nature of interlayer carbon–carbon covalent bonding in graphene-based materials.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 5, p. N.PAG, doi. 10.1007/s00214-019-2458-6
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- Article
11
Kinetics of the hydrogen abstraction CHO + Alkane → HCHO + Alkyl reaction class: an application of the reaction class transition state theory.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 1-3, p. 107, doi. 10.1007/s00214-007-0311-9
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- Article
12
A direct ab initio dynamics study of the water-assisted tautomerization of formamide.
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- International Journal of Quantum Chemistry, 1997, v. 63, n. 4, p. 861, doi. 10.1002/(SICI)1097-461X(1997)63:4<861::AID-QUA7>3.0.CO;2-U
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- Article
13
Generalized conductor-like screening model (GCOSMO) for solvation: An assessment of its accuracy and applicability.
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- International Journal of Quantum Chemistry, 1996, v. 60, n. 7, p. 1615, doi. 10.1002/(SICI)1097-461X(1996)60:7<1615::AID-QUA43>3.0.CO;2-Y
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- Article
14
Density functional theory study of mechanism of epoxy-carboxylic acid curing reaction.
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- Journal of Computational Chemistry, 2017, v. 38, n. 14, p. 1093, doi. 10.1002/jcc.24779
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- Article
15
Density functional theory study on mechanisms of epoxy-phenol curing reaction.
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- Journal of Computational Chemistry, 2014, v. 35, n. 22, p. 1630, doi. 10.1002/jcc.23658
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- Article
16
Mechanisms of and Effect of Coadsorption on Water Dissociation on an Oxygen Vacancy of the MgO(100) Surface.
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- Chemistry - A European Journal, 2006, v. 12, n. 22, p. 5859, doi. 10.1002/chem.200600027
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- Article
17
Automated mechanism generation: From symbolic calculation to complex chemistry.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 1, p. 244, doi. 10.1002/qua.20748
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- Article
18
Optimizing efficiency of perturbative Monte Carlo method.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1632, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1632::AID-JCC9>3.0.CO;2-K
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- Article
19
TheRate: Program for ab initio direct dynamics calculations of thermal and vibrational-state-selected rate constants.
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- Journal of Computational Chemistry, 1998, v. 19, n. 9, p. 1039, doi. 10.1002/(SICI)1096-987X(19980715)19:9<1039::AID-JCC5>3.0.CO;2-R
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- Article
20
Nature of partial sigma bond.
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- Journal of Computational Chemistry, 2024, v. 45, n. 26, p. 2251, doi. 10.1002/jcc.27445
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- Article