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在“
Elsevier电子期刊
”中,
命中:
983
条,耗时:0.1629542 秒
在所有数据库中总计命中:
2,312
条
1.
A finite element approach to
self
-
consistent
field
theory
calculations of multiblock polymers
作者:
David M. Ackerman
a
;
Kris Delaney
b
;
Glenn H. Fredrickson
b
;
Baskar Ganapathysubramanian
a
;
baskarg@iastate.edu
关键词:
Finite elements
;
Polymer
theory
;
Self
-
consistent
field
theory
;
High performance computing
刊名:Journal of Computational Physics
出版年:2017
2.
SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional
Theory
: Isolated clusters
作者:
Swarnava Ghosh
;
Phanish Suryanarayana
;
phanish.suryanarayana@ce.gatech.edu
关键词:
Electronic structure
;
Real-space
;
Finite-differences
;
Electrostatics
;
Atomic forces
;
Parallel computing
刊名:Computer Physics Communications
出版年:2017
3.
Electronic and structural properties of Cob(I)alamin: Ramifications for B
12
-dependent processes
作者:
Manoj Kumar
a
;
b
;
Pawel M. Kozlowski
a
;
c
;
pawel@louisville.edu
关键词:
CNCbl
;
cyanocobalamin
;
AdoCbl
;
adenosylcobalamin
;
MeCbl
;
methylcobalamin
;
CoIIICbl
;
cob(III)alamin
;
CoIICbl
;
cob(II)alamin
;
CoICbl
;
cob(I)alamin
;
MetH
;
methionine synthase
;
CoFeSP
;
corrinoid/Fe-S protein
;
MtaBC
;
methanol-cobalamin methyltransferase
;
Im
;
imidazole
;
DFT
;
density functional
theory
;
QM/MM
;
quantum mechanics/molecular mechanics
;
CASSCF
;
complete active space
self
-
consistent
field
;
CASPT2
;
complete active space perturbation
theory
;
ONIOM
;
our own n-layered integrated molecular orbital
刊名:Coordination Chemistry Reviews
出版年:2017
4.
Atom-partitioned multipole expansions for electrostatic potential boundary conditions
作者:
M. Lee
a
;
michael.s.lee131.civ@mail.mil" class="auth_mail" title="E-mail the corresponding author
;
K. Leiter
a
;
C. Eisner
b
;
a
;
J. Knap
a
关键词:
Finite element method
;
Density functional
theory
;
Spherical harmonics
;
Self
-
consistent
field
;
Poisson equation
;
Partial differential equation
;
Quantum chemistry
刊名:Journal of Computational Physics
出版年:2017
5.
Ground-state properties of even and odd Magnesium isotopes in a symmetry-conserving approach
作者:
Marta Borrajo
;
J. Luis Egido
;
j.luis.egido@uam.es
关键词:
Magnesium isotopes
;
Binding energies
;
Mass radii
;
Magnetic moments
;
GCM
;
Beyond mean
field
theories
刊名:Physics Letters B
出版年:2017
6.
Validation of elastic cross section models for space radiation applications
作者:
C.M. Werneth
a
;
charles.m.werneth@nasa.gov
;
X. Xu
b
;
R.B. Norman
a
;
W.P. Ford
c
;
K.M. Maung
d
关键词:
Elastic differential cross section
;
Reaction cross section
;
Lippmann&ndash
;
Schwinger equation
;
Uncertainty quantification
刊名:Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
出版年:2017
7.
The Vlasov-Poisson-Boltzmann system for the whole range of cutoff soft potentials
作者:
Qinghua Xiao
a
;
pdexqh@hotmail.com" class="auth_mail" title="E-mail the corresponding author
;
Linjie Xiong
b
;
xlj@hnu.edu.cn" class="auth_mail" title="E-mail the corresponding author
;
Huijiang Zhao
c
;
hhjjzhao@hotmail.com" class="auth_mail" title="E-mail the corresponding author
关键词:
One-species Vlasov&ndash
;
Poisson&ndash
;
Boltzmann system
;
Cutoff soft potentials
;
Global solutions near Maxwellians
;
Time&ndash
;
velocity weighted energy method
刊名:Journal of Functional Analysis
出版年:2017
8.
Generation of cosmic magnetic
field
s in electroweak plasma
作者:
Maxim Dvornikov
a
;
b
;
maxim.dvornikov@usp.br" class="auth_mail" title="E-mail the corresponding author
关键词:
magnetic
field
;
Chern-Simons
theory
;
magnetar
;
early universe
刊名:Nuclear and Particle Physics Proceedings
出版年:2016
9.
Self
-modulated dynamics of a relativistic charged particle beam in plasma wake
field
excitation
作者:
T. Akhter
a
;
;
R. Fedele
a
;
S. De Nicola
b
;
F. Tanjia
a
;
D. Jovanović
c
;
A. Mannan
d
关键词:
Self
-modulation
;
Plasma wake
field
excitations
;
Vlasov&ndash
;
Poisson-like pair of equations
刊名:Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment
出版年:2016
10.
Self
-
consistent
field
theory
simulations of polymers on arbitrary domains
作者:
Gaddiel Ouaknin
a
;
gaddielouaknin@umail.ucsb.edu" class="auth_mail" title="E-mail the corresponding author
;
Nabil Laachi
c
;
Kris Delaney
c
;
Glenn H. Fredrickson
c
;
d
;
e
;
Frederic Gibou
a
;
b
关键词:
SCFT
;
Neumann boundary conditions
;
Sharp boundary conditions
;
Quad-/Oc-tree
;
Parallel computing
;
Fokker&ndash
;
Planck
;
Level set
刊名:Journal of Computational Physics
出版年:2016
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