Elucidation of conformational characteristics and configurational properties of poly((R)-3-hydroxybutyrate) by ab initio statistical mechanics

Yuji Sasanuma; Shiori Katsumata

doi:10.1038/pj.2012.203

Elucidation of conformational characteristics and configurational properties of poly((R)-3-hydroxybutyrate) by ab initio statistical mechanics

Polymer Journal ◽

10.1038/pj.2012.203 ◽

2012 ◽

Vol 45 (7) ◽

pp. 727-737 ◽

Cited By ~ 6

Author(s):

Yuji Sasanuma ◽

Shiori Katsumata

Keyword(s):

Statistical Mechanics ◽

Ab Initio

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Ab initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects

The Journal of Chemical Physics ◽

10.1063/1.3466919 ◽

2010 ◽

Vol 133 (4) ◽

pp. 044103 ◽

Cited By ~ 10

Author(s):

D. Alfè ◽

M. J. Gillan

Keyword(s):

Statistical Mechanics ◽

Ab Initio ◽

Surface Adsorption ◽

Quantum Effects ◽

Adsorption And Desorption ◽

Nuclear Quantum Effects

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Ab Initio Statistical Mechanics of Structural Phase Transitions

Modern Problems in Condensed Matter Sciences - Electronic Phase Transitions ◽

10.1016/b978-0-444-88885-3.50008-1 ◽

1992 ◽

pp. 135-175 ◽

Cited By ~ 2

Author(s):

K.M. RABE ◽

J.D. JOANNOPOULOS

Keyword(s):

Phase Transitions ◽

Statistical Mechanics ◽

Ab Initio ◽

Structural Phase ◽

Structural Phase Transitions

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Ab Initio Thermodynamics and Statistical Mechanics of Diffusion, Growth, and Self- Assembly of Quantum Dots

Atomistic Aspects of Epitaxial Growth ◽

10.1007/978-94-010-0391-9_27 ◽

2002 ◽

pp. 355-369 ◽

Cited By ~ 1

Author(s):

Matthias Scheffler ◽

Peter Kratzer

Keyword(s):

Quantum Dots ◽

Statistical Mechanics ◽

Ab Initio ◽

Self Assembly ◽

Diffusion Growth ◽

Thermodynamics And Statistical Mechanics

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Ab initio statistical mechanics of the ferroelectric phase transition inPbTiO3

Physical Review B ◽

10.1103/physrevb.55.6161 ◽

1997 ◽

Vol 55 (10) ◽

pp. 6161-6173 ◽

Cited By ~ 208

Author(s):

U. V. Waghmare ◽

K. M. Rabe

Keyword(s):

Phase Transition ◽

Statistical Mechanics ◽

Ab Initio ◽

Ferroelectric Phase Transition ◽

Ferroelectric Phase

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Surface processes and phase transitions from ab initio atomistic thermodynamics and statistical mechanics

Catalysis Today ◽

10.1016/j.cattod.2005.04.015 ◽

2005 ◽

Vol 105 (1) ◽

pp. 17-35 ◽

Cited By ~ 82

Author(s):

Catherine Stampfl

Keyword(s):

Phase Transitions ◽

Statistical Mechanics ◽

Ab Initio ◽

Surface Processes ◽

Atomistic Thermodynamics ◽

Thermodynamics And Statistical Mechanics

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From the electronic structure to the macroscopic magnetic behaviour of rare-earth intermetallics: a combination of ab initio electron theory with statistical mechanics and elasticity theory

Physica B Condensed Matter ◽

10.1016/s0921-4526(02)00850-5 ◽

2002 ◽

Vol 321 (1-4) ◽

pp. 198-203 ◽

Cited By ~ 4

Author(s):

M. Fähnle ◽

F. Welsch

Keyword(s):

Electronic Structure ◽

Rare Earth ◽

Statistical Mechanics ◽

Ab Initio ◽

Elasticity Theory ◽

Magnetic Behaviour ◽

Electron Theory ◽

Rare Earth Intermetallics

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ChemInform Abstract: Predicting Surface Phase Transitions from ab initio Based Statistical Mechanics and Thermodynamics

ChemInform ◽

10.1002/chin.200801275 ◽

2008 ◽

Vol 39 (1) ◽

Author(s):

Catherine Stampfl

Keyword(s):

Phase Transitions ◽

Statistical Mechanics ◽

Ab Initio ◽

Surface Phase ◽

Surface Phase Transitions

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Molecular Characterization of Polymers by ab initio Statistical Mechanics

KOBUNSHI RONBUNSHU ◽

10.1295/koron.69.198 ◽

2012 ◽

Vol 69 (5) ◽

pp. 198-212

Author(s):

Yuji SASANUMA

Keyword(s):

Statistical Mechanics ◽

Ab Initio ◽

Molecular Characterization

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From the Electronic Structure to the Macroscopic Magnetic Behavior of Rare-earth Intermetallics: a Combination of ab initio Electron Theory with Statistical Mechanics and Elasticity Theory

ChemInform ◽

10.1002/chin.200309219 ◽

2003 ◽

Vol 34 (9) ◽

Author(s):

M. Fahnle ◽

F. Welsch

Keyword(s):

Electronic Structure ◽

Rare Earth ◽

Statistical Mechanics ◽

Ab Initio ◽

Elasticity Theory ◽

Magnetic Behavior ◽

Electron Theory ◽

Rare Earth Intermetallics

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Ab initio statistical mechanics of surface adsorption and desorption. I. H2O on MgO (001) at low coverage

The Journal of Chemical Physics ◽

10.1063/1.2772258 ◽

2007 ◽

Vol 127 (11) ◽

pp. 114709 ◽

Cited By ~ 15

Author(s):

D. Alfè ◽

M. J. Gillan

Keyword(s):

Statistical Mechanics ◽

Ab Initio ◽

Surface Adsorption ◽

Adsorption And Desorption ◽

Low Coverage

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