Skip Nav Destination
Issues
14 March 2015
ISSN 0021-9606
EISSN 1089-7690
In this Issue
SPECIAL TOPIC: SUPRAMOLECULAR SELF-ASSEMBLY AT SURFACES
Preface
Preface: Special Topic on Supramolecular Self-Assembly at Surfaces
J. Chem. Phys. 142, 101501 (2015)
https://doi.org/10.1063/1.4914017
Articles
Electrophilic surface sites as precondition for the chemisorption of pyrrole on GaAs(001) surfaces
J. Chem. Phys. 142, 101903 (2015)
https://doi.org/10.1063/1.4906117
Heterogeneous patterns on block copolymer thin film via solvent annealing: Effect on protein adsorption
J. Chem. Phys. 142, 101908 (2015)
https://doi.org/10.1063/1.4906345
C60 chain phases on ZnPc/Ag(111) surfaces: Supramolecular organization driven by competing interactions
J. Chem. Phys. 142, 101910 (2015)
https://doi.org/10.1063/1.4906044
Construction of single-crystalline supramolecular networks of perchlorinated hexa-peri-hexabenzocoronene on Au(111)
Yi Zhang; Yanfang Zhang; Geng Li; Jianchen Lu; Xiao Lin; Yuanzhi Tan; Xinliang Feng; Shixuan Du; Klaus Müllen; Hong-Jun Gao
J. Chem. Phys. 142, 101911 (2015)
https://doi.org/10.1063/1.4907369
Self-assembly of diblock copolymer confined in an array-structure space
J. Chem. Phys. 142, 101912 (2015)
https://doi.org/10.1063/1.4907532
Impact of branching on the supramolecular assembly of thioethers on Au(111)
Colin J. Murphy; Xuerong Shi; April D. Jewell; Allister F. McGuire; Darin O. Bellisario; Ashleigh E. Baber; Heather L. Tierney; Emily A. Lewis; David S. Sholl; E. Charles. H. Sykes
J. Chem. Phys. 142, 101915 (2015)
https://doi.org/10.1063/1.4907270
1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces
J. Chem. Phys. 142, 101916 (2015)
https://doi.org/10.1063/1.4907721
Redox-activity and self-organization of iron-porphyrin monolayers at a copper/electrolyte interface
J. Chem. Phys. 142, 101917 (2015)
https://doi.org/10.1063/1.4906892
Electronic structure at transition metal phthalocyanine-transition metal oxide interfaces: Cobalt phthalocyanine on epitaxial MnO films
Mathias Glaser; Heiko Peisert; Hilmar Adler; Umut Aygül; Milutin Ivanovic; Peter Nagel; Michael Merz; Stefan Schuppler; Thomas Chassé
J. Chem. Phys. 142, 101918 (2015)
https://doi.org/10.1063/1.4907899
Amino-terminated biphenylthiol self-assembled monolayers as highly reactive molecular templates
J. Chem. Phys. 142, 101919 (2015)
https://doi.org/10.1063/1.4907942
Influence of water on supra-molecular assembly of 4, 4′-dihydroxy azobenzene on Ag(111)
J. Chem. Phys. 142, 101920 (2015)
https://doi.org/10.1063/1.4907368
Self-assembly of strongly dipolar molecules on metal surfaces
Donna A. Kunkel; James Hooper; Scott Simpson; Daniel P. Miller; Lucie Routaboul; Pierre Braunstein; Bernard Doudin; Sumit Beniwal; Peter Dowben; Ralph Skomski; Eva Zurek; Axel Enders
J. Chem. Phys. 142, 101921 (2015)
https://doi.org/10.1063/1.4907943
Selection of conformational states in self-assembled surface structures formed from an oligo(naphthylene–ethynylene) 3-bit binary switch
Y. Ning; J. R. Cramer; A. Nuermaimaiti; K. Svane; M. Yu; E. Lægsgaard; F. Besenbacher; Q.-K. Xue; X. Ma; B. Hammer; K. V. Gothelf; T. R. Linderoth
J. Chem. Phys. 142, 101922 (2015)
https://doi.org/10.1063/1.4908062
Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure
J. Chem. Phys. 142, 101924 (2015)
https://doi.org/10.1063/1.4908267
From hydrogen bonding to metal coordination and back: Porphyrin-based networks on Ag(111)
J. Chem. Phys. 142, 101926 (2015)
https://doi.org/10.1063/1.4908535
Hydrogen-bonded clusters of 1, 1′-ferrocenedicarboxylic acid on Au(111) are initially formed in solution
Rebecca C. Quardokus; Natalie A. Wasio; Ryan D. Brown; John A. Christie; Kenneth W. Henderson; Ryan P. Forrest; Craig S. Lent; Steven A. Corcelli; S. Alex Kandel
J. Chem. Phys. 142, 101927 (2015)
https://doi.org/10.1063/1.4909517
Temperature-dependent self-assembly of NC–Ph5–CN molecules on Cu(111)
J. Chem. Phys. 142, 101928 (2015)
https://doi.org/10.1063/1.4909518
True perylene epitaxy on Ag(110) driven by site recognition effect
J. Chem. Phys. 142, 101929 (2015)
https://doi.org/10.1063/1.4913325
On the stability of surface-confined nanoporous molecular networks
Elke Ghijsens; Jinne Adisoejoso; Hans Van Gorp; Iris Destoop; Aya Noguchi; Oleksandr Ivasenko; Kazukuni Tahara; Mark Van der Auweraer; Yoshito Tobe; Steven De Feyter
J. Chem. Phys. 142, 101932 (2015)
https://doi.org/10.1063/1.4913657
ARTICLES
Theoretical Methods and Algorithms
Minimising biases in full configuration interaction quantum Monte Carlo
J. Chem. Phys. 142, 104101 (2015)
https://doi.org/10.1063/1.4913644
Simulated evolution of fluorophores for light emitting diodes
J. Chem. Phys. 142, 104104 (2015)
https://doi.org/10.1063/1.4914294
Partial secular Bloch-Redfield master equation for incoherent excitation of multilevel quantum systems
J. Chem. Phys. 142, 104107 (2015)
https://doi.org/10.1063/1.4908130
Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystems
J. Chem. Phys. 142, 104111 (2015)
https://doi.org/10.1063/1.4913931
Advanced Experimental Techniques
Atoms, Molecules, and Clusters
Potential energy surfaces for the HBr+ + CO2 → Br + HOCO+ reaction in the HBr+ 2Π3/2 and 2Π1/2 spin-orbit states
Rui Sun; Giovanni Granucci; Amit K. Paul; Matthew Siebert; Hongliang J. Liang; Grace Cheong; William L. Hase; Maurizio Persico
J. Chem. Phys. 142, 104302 (2015)
https://doi.org/10.1063/1.4913767
A configurational study of helium clusters doped with He∗− and He2∗−
J. Chem. Phys. 142, 104303 (2015)
https://doi.org/10.1063/1.4913958
Electron collisions with phenol: Total, integral, differential, and momentum transfer cross sections and the role of multichannel coupling effects on the elastic channel
Romarly F. da Costa; Eliane M. de Oliveira; Márcio H. F. Bettega; Márcio T. do N. Varella; Darryl B. Jones; Michael J. Brunger; Francisco Blanco; Rafael Colmenares; Paulo Limão-Vieira; Gustavo García; Marco A. P. Lima
J. Chem. Phys. 142, 104304 (2015)
https://doi.org/10.1063/1.4913824
Differential cross sections for electron impact excitation of the electronic bands of phenol
R. F. C. Neves; D. B. Jones; M. C. A. Lopes; K. L. Nixon; G. B. da Silva; H. V. Duque; E. M. de Oliveira; R. F. da Costa; M. T. do N. Varella; M. H. F. Bettega; M. A. P. Lima; K. Ratnavelu; G. García; M. J. Brunger
J. Chem. Phys. 142, 104305 (2015)
https://doi.org/10.1063/1.4913825
The interaction of He− with fullerenes
Andreas Mauracher; Matthias Daxner; Stefan E. Huber; Johannes Postler; Michael Renzler; Stephan Denifl; Paul Scheier; Andrew M. Ellis
J. Chem. Phys. 142, 104306 (2015)
https://doi.org/10.1063/1.4913956
Preparation of state purified beams of He, Ne, C, N, and O atoms
J. Chem. Phys. 142, 104311 (2015)
https://doi.org/10.1063/1.4914332
Liquids, Glasses, and Crystals
Structure and stability of solid Xe(H2)n
J. Chem. Phys. 142, 104503 (2015)
https://doi.org/10.1063/1.4908265
The glass-forming ability of model metal-metalloid alloys
J. Chem. Phys. 142, 104504 (2015)
https://doi.org/10.1063/1.4914370
Fluctuation-dissipation theorem and the dielectric response in supercooled liquids
J. Chem. Phys. 142, 104505 (2015)
https://doi.org/10.1063/1.4914185
Diffusivity and short-time dynamics in two models of silica
J. Chem. Phys. 142, 104506 (2015)
https://doi.org/10.1063/1.4913747
Surfaces, Interfaces, and Materials
Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods
J. Chem. Phys. 142, 104701 (2015)
https://doi.org/10.1063/1.4913839
N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phonons
J. Chem. Phys. 142, 104702 (2015)
https://doi.org/10.1063/1.4913979
Single atom catalysts on amorphous supports: A quenched disorder perspective
J. Chem. Phys. 142, 104708 (2015)
https://doi.org/10.1063/1.4914145
Polymers and Soft Matter
Thermodynamics of the adsorption of flexible polymers on nanowires
J. Chem. Phys. 142, 104901 (2015)
https://doi.org/10.1063/1.4913959
Biological Molecules and Networks
Theory and simulations of toroidal and rod-like structures in single-molecule DNA condensation
J. Chem. Phys. 142, 105102 (2015)
https://doi.org/10.1063/1.4914513
LETTERS TO THE EDITOR
Comments
Errata
Erratum: “Phase diagram of ammonium nitrate” [J. Chem. Phys. 139, 214503 (2013)]
J. Chem. Phys. 142, 109901 (2015)
https://doi.org/10.1063/1.4914849
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Freezing point depression of salt aqueous solutions using the Madrid-2019 model
Cintia P. Lamas, Carlos Vega, et al.