| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Ab initio molecular dynamics study of thermite reaction at Al and CuO nano-interfaces at different temperatures
|
Tang, Cui-Ming
|
|
2018
|
699 |
C |
p. 171-181
|
article
|
| 2 |
Accurate prediction of bond dissociation energies of large n-alkanes using ONIOM-CCSD(T)/CBS methods
|
Wu, Junjun
|
|
2018
|
699 |
C |
p. 139-145
|
article
|
| 3 |
Adsorption of 1-naphthyl methyl carbamate in water by utilizing a surface molecularly imprinted polymer
|
So, Juhyok
|
|
2018
|
699 |
C |
p. 199-207
|
article
|
| 4 |
An empirical relation between the limiting ionic molar conductivities and self-diffusion coefficients of pure solvents
|
Matsuyama, Hisashi
|
|
2018
|
699 |
C |
p. 162-166
|
article
|
| 5 |
A new method for finding the minimum free energy pathway of ions and small molecule transportation through protein based on 3D-RISM theory and the string method
|
Yoshida, Norio
|
|
2018
|
699 |
C |
p. 22-27
|
article
|
| 6 |
An improved reaction path optimization method using a chain of conformations
|
Asada, Toshio
|
|
2018
|
699 |
C |
p. 255-260
|
article
|
| 7 |
Application of CaCu3Ti4O12 based quadruple perovskites as a promising candidate for optoelectronic devices
|
Pal, Kamalesh
|
|
2018
|
699 |
C |
p. 229-233
|
article
|
| 8 |
A theoretical study of OH radical-initiated atmospheric oxidation of 1-chloronaphthalene
|
Cui, Yang
|
|
2018
|
699 |
C |
p. 40-47
|
article
|
| 9 |
Basis sets for the calculation of core-electron binding energies
|
Hanson-Heine, Magnus W.D.
|
|
2018
|
699 |
C |
p. 279-285
|
article
|
| 10 |
Complex-valued derivative propagation method with approximate Bohmian trajectories: Application to electronic nonadiabatic dynamics
|
Wang, Yu
|
|
2018
|
699 |
C |
p. 125-131
|
article
|
| 11 |
Co-sensitization of ruthenium(II) dye-sensitized solar cells by coumarin based dyes
|
Athanas, Anish Babu
|
|
2018
|
699 |
C |
p. 32-39
|
article
|
| 12 |
Development of a kinetic model of hydrogen absorption and desorption in magnesium and analysis of the rate-determining step
|
Kitagawa, Yuta
|
|
2018
|
699 |
C |
p. 132-138
|
article
|
| 13 |
Diversity of band gap and photoluminescence properties of lead halide perovskite: A halogen-dependent spectroscopic study
|
Yu, Wenlei
|
|
2018
|
699 |
C |
p. 93-98
|
article
|
| 14 |
D 2 + Molecular complex in non-uniform height quantum ribbon under crossed electric and magnetic fields
|
Suaza, Y.A.
|
|
2018
|
699 |
C |
p. 267-274
|
article
|
| 15 |
Editorial Board
|
|
|
2018
|
699 |
C |
p. ii
|
article
|
| 16 |
Effect of electric field and temperature gradient on orientational dynamics of nematics encapsulated in a hallow cylindrical cavity
|
Zakharov, A.V.
|
|
2018
|
699 |
C |
p. 73-79
|
article
|
| 17 |
Efficient near-infrared emission of π-extended cyclometalated iridium complexes based on pyrene in solution-processed polymer light-emitting diode
|
Liu, Yu
|
|
2018
|
699 |
C |
p. 99-106
|
article
|
| 18 |
Empirical temperature-dependent intermolecular potentials determined by data mining from crystal data
|
Hofmann, D.W.M.
|
|
2018
|
699 |
C |
p. 115-124
|
article
|
| 19 |
Enhancement of acid treated g-C3N4 Cu2O photocatalytic activity by PEG under visible light irradiation
|
Zuo, Shiyu
|
|
2018
|
699 |
C |
p. 241-249
|
article
|
| 20 |
First hyperpolarizability of isomers of pyridinium N-phenoxide betaine dye in solution using the ASEC-FEG method
|
Torres, E.M.
|
|
2018
|
699 |
C |
p. 261-266
|
article
|
| 21 |
Graphical abstract TOC
|
|
|
2018
|
699 |
C |
p. IV-XII
|
article
|
| 22 |
Graphical abstract TOC
|
|
|
2018
|
699 |
C |
p. IBC
|
article
|
| 23 |
Graphical abstract TOC
|
|
|
2018
|
699 |
C |
p. OBC
|
article
|
| 24 |
Group IIB-VIA semiconductor oxide cluster ions
|
Jayasekharan, Thankan
|
|
2018
|
699 |
C |
p. 48-54
|
article
|
| 25 |
Hierarchical porous ZnO microflowers with ultra-high ethanol gas-sensing at low concentration
|
Song, Liming
|
|
2018
|
699 |
C |
p. 1-7
|
article
|
| 26 |
Hybrid photodetector based on CsPbBr3 perovskite nanocrystals and PC71BM fullerene derivative
|
Li, Tengteng
|
|
2018
|
699 |
C |
p. 208-211
|
article
|
| 27 |
Insight into the adsorption of chloramphenicol on a vermiculite surface
|
Tri, Nguyen Ngoc
|
|
2018
|
699 |
C |
p. 107-114
|
article
|
| 28 |
Insights into effects and mechanism of pre-dispersant on surface morphologies of silica or alumina coated rutile TiO2 particles
|
Dong, Xiongbo
|
|
2018
|
699 |
C |
p. 55-63
|
article
|
| 29 |
Interactions between nitrogen and oxygen molecules studied by gas-phase NMR spectroscopy
|
Garbacz, Piotr
|
|
2018
|
699 |
C |
p. 194-198
|
article
|
| 30 |
Investigation on fracture behavior and mechanisms of DGEBF toughened by CTBN
|
Wang, Lulu
|
|
2018
|
699 |
C |
p. 14-21
|
article
|
| 31 |
Modification of molybdenum disulfide in methanol solvent for hydrogen evolution reaction
|
Niyitanga, Theophile
|
|
2018
|
699 |
C |
p. 8-13
|
article
|
| 32 |
Nanoparticle heterodimers: The role of size and interparticle gap distance on the optical response
|
Mokkath, Junais Habeeb
|
|
2018
|
699 |
C |
p. 28-31
|
article
|
| 33 |
On the fly quantum dynamics of electronic and nuclear wave packets
|
Komarova, Ksenia G.
|
|
2018
|
699 |
C |
p. 155-161
|
article
|
| 34 |
Optical properties of core-shell and multi-shell nanorods
|
Mokkath, Junais Habeeb
|
|
2018
|
699 |
C |
p. 188-193
|
article
|
| 35 |
Optimality principle for the coupled chemical reactions of ATP synthesis and its molecular interpretation
|
Nath, Sunil
|
|
2018
|
699 |
C |
p. 212-217
|
article
|
| 36 |
Phase transition and ductile behavior of IrxOs1-xN alloys from theoretical point of view
|
Sarwan, Madhu
|
|
2018
|
699 |
C |
p. 64-72
|
article
|
| 37 |
Phosphorene quantum dots
|
Vishnoi, Pratap
|
|
2018
|
699 |
C |
p. 223-228
|
article
|
| 38 |
Photocatalysis and self-cleaning from g-C3N4 coated cotton fabrics under sunlight irradiation
|
Fan, Yunde
|
|
2018
|
699 |
C |
p. 146-154
|
article
|
| 39 |
Pressure-induced phase transition of KTa1/2Nb1/2O3 solid solutions: A first-principles study
|
Zhang, Huadi
|
|
2018
|
699 |
C |
p. 80-84
|
article
|
| 40 |
Probing the structural evolution and bonding properties of PtnC2 −/0 (n = 1–7) clusters by density functional calculations
|
Lu, Sheng-Jie
|
|
2018
|
699 |
C |
p. 218-222
|
article
|
| 41 |
Random oriented hexagonal nickel hydroxide nanoplates grown on graphene as binder free anode for lithium ion battery with high capacity
|
Du, Yingjie
|
|
2018
|
699 |
C |
p. 167-170
|
article
|
| 42 |
Revisiting structure and dynamics of preferential solvation of K(I) ion in aqueous ammonia using QMCF-MD simulation
|
Hidayat, Yuniawan
|
|
2018
|
699 |
C |
p. 234-240
|
article
|
| 43 |
Spin Seebeck effect and thermal colossal magnetoresistance in Christmas-tree silicene nanoribbons
|
Gao, Xiu-Jin
|
|
2018
|
699 |
C |
p. 250-254
|
article
|
| 44 |
Spontaneous and controlled-diameter synthesis of single-walled and few-walled carbon nanotubes
|
Inoue, Shuhei
|
|
2018
|
699 |
C |
p. 88-92
|
article
|
| 45 |
Surface tension anomalies in room temperature ionic liquids-acetone solutions
|
Abe, Hiroshi
|
|
2018
|
699 |
C |
p. 275-278
|
article
|
| 46 |
Total electron scattering cross section from pyridine molecules in the energy range 10–1000 eV
|
Dubuis, A. Traoré
|
|
2018
|
699 |
C |
p. 182-187
|
article
|
| 47 |
Tug-of-war between classical and multicenter bonds in H-(Be)n-H species
|
Lundell, Katie A.
|
|
2018
|
699 |
C |
p. 85-87
|
article
|
Journal description