MOLECULAR SCIENCE AND NANO MATERIAL LABORATORY

MOLECULAR SCIENCE AND NANO MATERIAL LABORATORY

MOLECULAR SCIENCE AND NANO MATERIAL LABORATORY
Total: 61 Journals 2015(02), 2014(12), 2013(13), 2012(14), 2011(10), 2010(10)
No. Year
Scientific Journals
I. Journals in the SCI list
Nguyen Minh Tam, Tran Dieu Hang, Hung Tan Pham, Huyen Thi Nguyen, My Phuong Pham-Ho,
Pablo A. Denis and Minh Tho Nguyen "Bonding and singlet–triplet gap of silicon trimer: Effects of
61 2015
protonation and attachment of alkali metal cations" Journal of Computational Chemistry 2015, in press
(February 2015) (doi: 10.1002/jcc.23856)
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57
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55
54
53
52
51
Nguyen Minh Tam, Hung Tan Pham, Long Van Duong, My Phuong Pham-Ho and Minh Tho
2015 Nguyen "Fullerene-like boron clusters stabilized by an endohedrally doped iron atom: B nFe with n=14,
16, 18 and 20" Physical Chemistry Chemical Physics 2015, 17, 3000-3003 (doi:10.1039/C4CP04279D)
Truong Ba Tai, Nguyen Minh Tam and Nguyen Minh Tho "Structural Similarity Between Boron
2014 Oxide Bn(BO)n2- and boron hydride BnHn2-dianions (n = 4 - 12)" Indian Journal of Chemistry 2014,
53A, 978 - 984
Nguyen Minh Tam, Vu Thi Ngan, Minh Tho Nguyen "Planar Tetracoordinate Carbon Stabilized by
2014 Heavier Congener Cages: The Si9C and Ge9C Clusters" Chemical Physics Letters 2014, 595–596,
272–276 (doi: 10.1016/j.cplett.2014.02.015)
Thong Nguyen-Minh Le, Bin Liu and Lam K. Huynh "SurfKin: An ab initio kinetic code for
2014 modeling surface reactions" Journal of Computational Chemistry 2014 35 (26), 1890–1899 (doi:
10.1002/jcc.23704)
Hung Tan Pham, Long Van Duong and Minh Tho Nguyen "Electronic Structure and Chemical
2014 Bonding in the Double Ring Tubular Boron Clusters" The Journal of Physical Chemistry C 2014, 118
(41), 24181–24187 (doi: 10.1021/jp507901n)
Long Van Duong, Hung Tan Pham, Nguyen Minh Tam and Minh Tho Nguyen "A particle on a
2014 hollow cylinder: the triple ring tubular cluster B27+ " Physical Chemistry Chemical Physics 2014, 16
(36), 19470–19478 (doi: 10.1039/C4CP01996B)
Tam V.-T. Mai, Raghunath P, Xuan T. Le, Lam K. Huynh, Nam P-C, Lin MC "Ab initio Chemical
2014 Kinetics for the HCCO + OH Reaction" Chemical Physics Letters 2014, 592, 175–181 (doi:
10.1016/j.cplett.2013.11.060)
Hung Q. Pham, Toan Mai, Nguyen-Nguyen Pham-Tran, Yoshiyuki Kawazoe, Hiroshi Mizuseki, Duc
Nguyen-Manh "Engineering of Band Gap in Metal–Organic Frameworks by Functionalizing Organic
2014
Linker: A Systematic Density Functional Theory Investigation" The Journal of Physical Chemistry C
2014, 118 (9), 4567–4577 (doi: 10.1021/jp405997r)
Truong Ba Tai, Long Van Duong, Hung Tan Pham, Dang Thi Tuyet Mai and Minh Tho Nguyen "A
2014 disk-aromatic bowl cluster B30: toward formation of boron buckyballs" Chemical Communications
2014, 50 (13), 1558–1560 (doi: 10.1039/c3cc48392d)
Tam V.-T. Mai, Minh V. Duong, Xuan T. Le, Lam K. Huynh, Artur Ratkiewicz "Direct ab initio
2014 dynamics calculations of thermal rate constants for the CH 4 + O2 = CH3 + HO2 reaction" Structural
Chemistry 2014, 25 (5), 1495–1503 (doi: 10.1007/s11224-014-0426-2)
Nguyen Minh Tam, Hung Tan Pham, Minh Tho Nguyen "Ring currents in silicon tetramer (Si 4, Si42+)
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49
48
2014 and planar tetracoordinate carbon doped cluster Si 4C2+: σ versus π aromaticity" Chemical Physics
Letter 2014, 608, 255–263 (doi: 10.1016/j.cplett.2014.05.098)
Hung Tan Pham, L.V. Duong, Nguyen Minh Tam, M.P. Pham-Ho, Minh Tho Nguyen "The boron
2014 conundrum: Bonding in the bowl B30 and B36, fullerene B40 and triple ring B42 clusters" Chemical
Physics Letters 2014, 608, 259-302 (doi: 10.1016/j.cplett.2014.05.069)
My-Phuong Pham, Buu Q. Pham, Lam K. Huynh, Ha Q. Pham, Maurice J. Marks and Thanh N.
2014 Truong "Density Functional Theory Study on Mechanisms of Epoxy-Phenol Curing Reaction" Journal
of Computational Chemistry 2014, 35 (22), 1630–1640 (doi: 10.1002/jcc.23658)
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46
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44
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42
41
40
39
38
37
36
35
34
33
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Artur R., Lam K. Huynh, Buu Q. Pham and Thanh N. Truong "Kinetics of the Hydrogen Abstraction
2013 C2H5 + Alkane –> C2H6 + Alkyl Reaction Class" Theoretical Chemical Accounts 2013, 132:1344 (doi:
10.1007/s00214-013-1344-x)
Alister J. Page, Chien-Pin Chou, Buu Q. Pham, Henryk A. Witek, Stephan Irle and Keiji Morokuma
"Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational
2013 spectra" Physical Chemistry Chemical Physics 2013, 15, 3725–3735 (doi: 10.1039/C3CP00094J)
Truong Ba Tai and Minh Tho Nguyen "A Three-dimensional Aromatic B6Li8 Complex as a High
2013 Capacity Hydrogen Storage Material" Chemical Communications 2013, 49 (9), 913–915 (doi:
10.1039/C2CC38038B)
Pham Cam Nam, Asit K. Chandra, Minh Tho Nguyen "Performance of an Integrated Method for
2013 Prediction of Bond Dissociation Enthalpy of Phenolic Compounds Extracted From Ginger and Tea"
Chemical Physics Letters 2013, 555, 44–50 (doi: 10.1016/j.cplett.2012.10.072)
Pham Cam Nam, Minh Tho Nguyen "The Se-H bond of Benzeneselenols (ArSe-H): Relationship
2013 Between Bond Dissociation Enthalpy and Spin Density of Radicals" Chemical Physics 2013, 415, 1825 (doi: 10.1016/j.chemphys.2013.02.008)
Cong T. Vo, Lam K. Huynh, J.-Y. Hung, Jyh-Chaing Jiang, "Methanol adsorption and decomposition
2013 on ZnO(10–10) surface: A density functional theory study" Applied Surface Science 2013, 280,
219–224 (doi: 10.1016/j.apsusc.2013.04.135)
Nguyen Minh Tam, Minh Tho Nguyen "Heats of formation and thermochemical parameters of small
2013 silicon clusters and their ions, Sin+/0/- with n = 2 – 13" Chemical Physics Letters 2013, 584, 147–154
(doi: 10.1016/j.cplett.2013.08.051)
Nguyen Minh Tam, Truong Ba Tai, Vu Thi Ngan, and Minh Tho Nguyen "Structure, Thermochemical
Properties and Growth Sequence of Aluminum Doped Silicon Clusters SinAlm (n = 1 – 11, m = 1 – 2)
2013
and Their Anions" Journal of Physical Chemistry A 2013, 117 (31), 6867–6882 (doi:
10.1021/jp405280c)
Ngo Tuan Cuong, Hue Minh Thi Nguyen and Minh Tho Nguyen "Theoretical Modeling of Optical
2013 Properties of Ag8 and Ag14 Silver Clusters Embedded in LTA Sodalite Zeolite Cavity" Physical
Chemistry Chemical Physics 2013, 15, 15404–15415 (doi: 10.1039/C3CP51017D)
Hung Tan Pham, Long Van Duong, Buu Quoc Pham, Minh Tho Nguyen "The 2D-to-3D Geometry
2013 Hopping in Small Boron Clusters: The Charge Effect" Chemical Physics Letter 2013, 577 , 32–37 (doi:
10.1016/j.cplett.2013.05.041)
Vu Thi Thu Huong, Huyen Thi Nguyen, Truong Ba Tai, and Minh Tho Nguyen "π-Conjugated
Molecules Containing Naphtho[2,3-b]thiophene and Their Derivatives: A Theoretical Design for
2013
Organic Semiconductors" Journal of Physical Chemistry C 2013, 117 (19), 10175–10184 (doi:
10.1021/jp401191a)
Tai, T. B. and Nguyen, M. T. "Interaction Mechanism of CO2 Ambient Adsorption on Transition Metal
2013 Coated Boron Sheets" Chemistry - A European Journal 2013, 19 (9), 2942–2946 (doi:
10.1002/chem.201203664)
2013
Pablo A. Denis, Nguyen Minh Tam, Minh Tho Nguyen "Heat of formation and thermochemical
parameters of silole" Chemical Physics Letters 2013, 588, 17–21 (doi: 10.1016/j.cplett.2013.09.058)
Nguyen Minh Tam, Vu Thi Ngan, Jorg de Haeck, Soumen Bhattacharyya, Hai Thuy Le, Ewald
Janssens, Peter Lievens, and Minh Tho Nguyen "Singly and Doubly Lithium Doped Silicon Clusters:
2012
Geometrical and Electronic Structures and Ionization Energies" Journal of Chemical Physics 2012, 136
(2), 024301 (doi: 10.1063/1.3672164)
Truong Ba Tai and Minh Tho Nguyen "Electronic Structure, Thermochemical Properties and Stability
2012 of Silicon Doped Lithium Clusters LinSi0/+ , n = 1 – 8. New Insights on their Stability" Journal of
Computational Chemistry 2012, 33 (7), 800–809 (doi: 10.1002/jcc.22911)
Truong Ba Tai, Nguyen Minh Tam and Minh Tho Nguyen "Structure of Boron Clusters Revisited, Bn
2012 with n = 14 - 20" Chemical Physics Letters 2012, 530, 71–76 (doi: 10.1016/j.cplett.2012.01.039)
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Huyen Thi Nguyen, Thuc Quyen Nguyen and Minh Tho Nguyen "Theoretical Study of Conjugated
Polyelectrolyte Electron Injection Layers: Effects of Counterions, Charged Groups and Charge
2012
Reversal" Chemical Physics Letters 2012, 530, 39–44 (doi: 10.1016/j.cplett.2012.01.080)
Pham Vu Nhat, Ngo Tuan cuong, Pham Khac Duy and Minh Tho Nguyen "Theoretical Study of
2012 Manganese Hydrides and Halides MnXn , X = H, F, Cl, Br and n =1–4" Chemical Physics 2012, 400,
185-197 (doi: 10.1016/j.chemphys.2012.04.008)
Jorg De Haeck, Soumen Bhattacharyya, Hai Thuy Le, David Debruyne, Nguyen Minh Tam, Vu Thi
Ngan, Ewald Janssens, Minh Tho Nguyen and Peter Lievens "Ionization Energies and Structures of
2012 Lithium Doped Silicon Clusters" Physical Chemistry Chemical Physics 2012, 14 (24), 8542–8550 (doi:
10.1039/C2CP40465F)
Truong Ba Tai, Nguyen Minh Tam and Minh Tho Nguyen "The Boron Conundrum: the Case of
2012 Cationic Clusters Bn+ with n = 2 – 20" Theoretical Chemistry Accounts 2012, 131:1241 (doi:
10.1007/s00214-012-1241-8)
Pham Vu Nhat and Minh Tho Nguyen "Structures, Spectra and Energies of Niobium Clusters from
2012 Nb13 to Nb20" Journal of Physical Chemistry A 2012, 116 (27), 7405–7418 (doi: 10.1021/jp302279j)
Vu Thi Huong, Truong Ba Tai and Minh Tho Nguyen "The π-Conjugated P-flowers C16(PH)8 and
2012 C16(PF)8 Are Potential Materials for Organic n-Type Semiconductors" Physical Chemistry Chemical
Physics 2012, 14 (43), 14832–14841 (doi: 10.1039/C2CP42474F)
Huyen Thi Nguyen, Vu Thi Huong and Minh Tho Nguyen "Silole-Based Oligomers as Electron
2012 Transport Materials" Chemical Physics Letters 2012, 550, 33–40 (doi: 10.1016/j.cplett.2012.08.051)
Nguyen Minh Tam, Truong Ba Tai and Minh Tho Nguyen "Thermochemical Parameters and Growth
Mechanism of the Boron Doped Silicon Clusters, Si nBq With n = 1 - 10 and q = -1, 0, +1" The journal
2012
of Physical Chemistry C 2012, 116 (37), 20086–20098 (doi: 10.1021/jp306037q)
23
Pham Vu Nhat, Truong Ba Tai and Minh Tho Nguyen "Theoretical Study of AunV-CO, n = 1 – 14:
2012 The Vanadium Dopant Enhances CO Adsorption on Gold Clusters" Journal of Chemical Physics 2012,
137, 164312 (doi: 10.1063/1.4761892)
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2012
21
2012
20
2011
19
2011
18
2011
17
Buu Q. Pham and Thanh N. Truong "Electronic Spin Transitions in Finite-size graphene" Journal of
Physical Chemistry 2012, 535, 75–79 (doi: 10.1016/j.cplett.2012.03.041)
Stephanie Villano, Lam K. Huynh, Hans-Heinrich Carstensen and Anthony Dean "High-Pressure Rate
Rules for Alkyl + O2 Reactions. 2. The Isomerization, Cyclic Ether Formation, and β-Scission Reactions
of Hydroperoxy Alkyl Radicals" The Journal of Physical Chemistry A 2012, 116 (21), 5068–5089
(doi: 10.1021/jp3023887)
Stephanie Villano, Lam K. Huynh, Hans-Heinrich Carstensen, Anthony Dean "High-Pressure Rate
Rules for Alkyl + O2 Reactions: Part 1 - The Dissociation, Concerted Elimination, and Isomerization
Channels of the Alkyl Peroxy Radical" The Journal of Physical Chemistry A 2011, 115 (46),
13425–13442 (doi: 10.1021/jp2079204)
Truong Ba Tai, Hue Minh Thi Nguyen and Minh Tho Nguyen "The Group 14 Cationic Clusters
Encapsulated by Coinage Metals X10M+ with X = Ge, Sn, Pb, and M = Cu, Ag, Au: Enhanced Stability
of 40 Valence Electron Systems" Chemical Physics Letters 2011, 502 (4-6), 187–193 (doi:
10.1016/j.cplett.2010.12.021)
Truong Ba Tai and Minh Tho Nguyen "A Stochastic Search for the Structures of Small Germanium
Clusters and Their Anions: Enhanced Stability by Spherical Aromaticity of the Ge 10 and Ge122−
Systems" Journal of Chemical Theory and Computation 2011, 7 (4), 1119–1130 (doi:
10.1021/ct1006482)
Pham Vu Nhat, Vu Thi Ngan, Truong Ba Tai and Minh Tho Nguyen "Electronic Structures,
Vibrational and Thermochemical Properties of Neutral and Charged Niobium Clusters Nb n, n = 7-12"
2011
The Journal of Physical Chemistry A 2011, 115 (15), 3523–3535 (doi: 10.1021/jp110758p)
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15
14
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Pham Vu Nhat and Minh Tho Nguyen "Trends in Structural, Electronic and Energetic Properties of
2011 Bimetallic Vanadium Gold Clusters AunV with n = 1–14" Physical Chemistry Chemical Physics 2011,
13 (36), 16254–16264 (doi: 10.1039/C1CP22078K)
Truong Ba Tai and Minh Tho Nguyen "Enhanced Stability by Three-dimensional Aromaticity of
2011 Endohedrally Doped Clusters X10M0/-, X = Ge, Sn, Pb, and M = Cu, Ag, Au" The Journal of Physical
Chemistry A 2011, 115 (35), 9993–9999 (doi: 10.1021/jp111324n)
Truong Ba Tai, Nguyen Minh Tam and Minh Tho Nguyen "Evolution of Structures and Stabilities of
Zinc-Doped Tin Clusters Snn Zn, n = 1 - 12. Three-dimensional Aromaticity of the Magic Clusters
2011
Sn10Zn and Sn12Zn" Chemical Physics 2011, 338 (1-3), 1–8 (doi: 10.1016/j.chemphys.2011.06.041)
Truong Ba Tai, Kadłubański P, Roszak S, Majumdar D, Leszczynski J and Nguyen Minh Tho
"Electronic Structures and Thermochemical Properties of Small Silicon Doped Boron Clusters B n Si (n
2011
= 1-7) and Their Anions" ChemPhysChem 2011, 12 (16), 2948–2958 (doi: 10.1002/cphc.201100341)
12
Pham Vu Nhat, Vu Thi Ngan, Truong Ba Tai and Minh Tho Nguyen "Reply to “Comment on
„Electronic Structures, Vibrational and Thermochemical Properties of Neutral and Charged Niobium
2011
Clusters Nbn , n = 7–12‟”" The Journal of Physical Chemistry A 2011, 115 (48), 14127–14128 (doi:
10.1021/jp210011a)
11
Subith S. Vasu, Lam K. Huynh, David F. Davidson, Ronald K. Hanson and David M. Golden
2011 "Reactions of OH with Butene Isomers: Measurements of the Overall Rates and a Theoretical Study"
The Journal of Physical Chemistry A 2011, 115 (12), 2549–2556 (doi : 10.1021/jp112294h)
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9
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3
Huyen T. Nguyen and Thanh N. Truong "A virtual screening approach for electronic properties of
2010 conjugated organic materials using semi-empirical molecular orbital theory" Chemical Physics Letters
2010, 499 (4-6), 263–267 (doi:10.1016/j.cplett.2010.09.049)
Ling Lin and Minh Tho Nguyen "Theoretical Study of CO Oxidation on Small Gold Cluster Anions:
2010 Role of the Carbonate Adducts" Chemical Physics Letters 2010, 498 (1-3), 120–124 (doi:
10.1016/j.cplett.2010.08.030)
Ling Lin, Peter Lievens and Minh Tho Nguyen "Theoretical Study of CO Adsorption on Yttrium2010 doped Gold Clusters Aun Y (n =1 – 9)" Chemical Physics Letters 2010, 498 (4-6), 296–301 (doi:
10.1016/j.cplett.2010.08.068)
Truong Ba Tai and Minh Tho Nguyen "The High Stability of Boron-doped Lithium Clusters Li 5B,
2010 Li6B+/- and Li7B: A Case of the Phenomenological Shell Model" Chemical Physics Letters 2010, 489 (13), 75–80 (doi: 10.1016/j.cplett.2010.02.036)
Truong Ba Tai and Minh Tho Nguyen "Lithium Atom Can Be Doped at the Center of a Germanium
2010 Cage: the Stable Icosahedral Ge12Li– Cluster and Derivatives" Chemical Physics Letters 2010, 492 (46), 290–296 (doi: 10.1016/j.cplett.2010.04.072)
Vu Thi Ngan and Minh Tho Nguyen "The Aromatic 8-Electron Cubic Silicon Clusters Be@Si8,
2010 B@Si8+, and C@Si82+" The Journal of Physical Chemistry A 2010, 114 (28), 7609–7615 (doi:
10.1021/jp103180y)
Nguyen Nguyen Pham Tran and Minh Tho Nguyen "Electronic Structure and properties of Some
2010 Oligomers Based on Fluorinated 1H -Phospholes: n - vs. p -type Materials" Comptes Rendus Chimie
2010, 13 (8-9) , 912–922 (doi: 10.1016/j.crci.2010.06.011)
Pham Vu Nhat, Vu Thi Ngan and Minh Tho Nguyen "A New Look at the Structure and Vibrational
2010 Spectra of Small Niobium Clusters and their Ions" The Journal of Physical Chemistry C 2010, 114
(31), 13210–13218 (doi : 10.1021/jp103484k)
2
Truong Ba Tai, Pham Vu Nhat and Minh Tho Nguyen "Structure and Stability of Aluminum Doped
2010 Lithium Clusters (LinAl0/+, n = 1 - 8): A Case of the Phenomenological Shell Model" Physical
Chemistry Chemical Physics 2010, 12 (48), 11477–11486 (doi: 10.1039/C003401K)
1
Truong Ba Tai and Minh Tho Nguyen "Thermochemical Properties, Electronic Structure and Bonding
2010 of Lithium-Doped Boron Clusters (Bn Li, n = 1-8) and Their Anions" Chemical Physics 2010, 375 (1),
35–45 (doi: 10.1016/j.chemphys.2010.07.015)
II.Journals in the SCI-Expanded list
III.Others (Domestic journals/magazines)