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1 .
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields
저자
by
Alessandra Mattei
;
Richard S. Hong
;
Hanno Dietrich
;
Dzmitry Firaha
;
Julian Helfferich
, et al.
소스
Journal of chemical theory and computation
. 18(9)
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7 .
Anomalous diffusion of water molecules at grain boundaries in ice Ih
저자
by
Roberto G.A. Veiga
;
Julian Helfferich
;
Ingrid de Almeida Ribeiro
;
Rodrigo Freitas
;
Pedro Augusto Franco Pinheiro Moreira
, et al.
소스
Physical Chemistry Chemical Physics
. 20:13944-13951
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7 .
Bunching and Immobilization of Ionic Liquids in Nanoporous Metal-Organic Framework
저자
by
Lars Heinke
;
Anemar Bruno Kanj
;
Modan Liu
;
Julian Helfferich
;
Rupal Verma
, et al.
소스
Nano letters, 19 (3), 2114–2120
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7 .
On the macrocyclization selectivity of meta-substituted diamines and dialdehydes: towards macrocycles with tunable functional peripheries
저자
by
Wolfgang Wenzel
;
Pia Löser
;
Audrey Llevot
;
Benjamin Bitterer
;
Michael A. R. Meier
, et al.
소스
Journal of Inclusion Phenomena and Macrocyclic Chemistry
Journal of Inclusion Phenomena and Macrocyclic Chemistry, Springer Verlag, 2019, 95 (1-2), pp.119-134. ⟨10.1007/s10847-019-00931-9⟩
Journal of inclusion phenomena and macrocyclic chemistry, 95 (1-2), 119–134
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7 .
Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion
저자
by
J. Christian Schön
;
Matthew R. Ryder
;
Jonas Nyman
;
Seiji Tsuzuki
;
Alexandre Tkatchenko
, et al.
소스
Faraday Discussions
Faraday Discussions, Royal Society of Chemistry, 2018, 211, pp.325-381. ⟨10.1039/C8FD90031K⟩
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7 .
Continuous-time random-walk approach to supercooled liquids: Self-part of the van Hove function and related quantities
저자
by
Jörg Baschnagel
;
Falko Ziebert
;
Olivier Benzerara
;
Jean Farago
;
Julian Helfferich
, et al.
소스
The European Physical Journal E
. 41
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7 .
SSAGES : Software Suite for Advanced General Ensemble Simulations
저자
by
Julian Helfferich
;
Hythem Sidky
;
Vikram Thapar
;
Ashley Z. Guo
;
Daniel R. Reid
, et al.
소스
The journal of chemical physics, 148 (4), Art.Nr. 044104
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7 .
Switching the Proton Conduction in Nanoporous, Crystalline Materials by Light
저자
by
Velimir Meded
;
David Bléger
;
Wolfgang Wenzel
;
Rupal Verma
;
Julian Helfferich
, et al.
소스
Advanced materials (Deerfield Beach, Fla.)
. 30(8)
Full Text (Wiley)
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7 .
Inherent structure energy is a good indicator of molecular mobility in glasses
저자
by
Julian Helfferich
;
Daniel R. Reid
;
Ivan Lyubimov
;
Juan J. de Pablo
.
소스
Soft matter
. 12(27)
Open Access (OpenAIRE)
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6 .
Compressibility and pressure correlations in isotropic solids and fluids
저자
by
P. Polińska
;
F. Weysser
;
J. Baschnagel
;
J. P. Wittmer
;
Hong Xu
, et al.
소스
European Physical Journal E: Soft matter and biological physics
European Physical Journal E: Soft matter and biological physics, EDP Sciences: EPJ, 2013, 36 (11), pp.1-17. ⟨10.1140/epje/i2013-13131-y⟩
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