ct.\*:(%22Crystalline state %28including molecular motions in solids%29%22)
Results 1 to 25 of 915793
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Atomistic studies of transformation pathways and energetics in plutoniumGRÖGER, R; LOOKMAN, T; SAXENA, A et al.Philosophical magazine (2003. Print). 2009, Vol 89, Num 22-24, pp 1779-1792, issn 1478-6435, 14 p.Conference Paper
On the continuous transformations between genus-3 minimal surfaces approximantsLEONI, Stefano; BABURIN, Igor A.Zeitschrift für Kristallographie. 2011, Vol 226, Num 8, pp 678-683, issn 0044-2968, 6 p.Article
Nonstoichiometry and problems of prevention of polymorphic transformations in crystalline compoundsKOVTUNENKO, P. V.Glass and ceramics. 1999, Vol 56, Num 11-12, pp 353-357, issn 0361-7610Article
Short-range order and composition of crystals : Substantiation and evolution of the theory of N. A. GoryunovaGREKOV, F. F.Russian journal of applied chemistry. 1996, Vol 69, Num 7, pp 935-939, issn 1070-4272Article
Periodic Space Partitioners (PSP) and their relations to crystal chemistryNESPER, Reinhard; GRIN, Yuri.Zeitschrift für Kristallographie. 2011, Vol 226, Num 8, pp 692-710, issn 0044-2968, 19 p.Article
Influence of gamma nonstoichiometry on spinel inversionKOVTUNENKO, P. V.Glass and ceramics. 1997, Vol 54, Num 7-8, pp 242-246, issn 0361-7610Article
Properties of molecular crystals by means of theoryPANAS, I.Acta crystallographica. Section A, Foundations of crystallography. 1993, Vol 49, pp 881-889, issn 0108-7673, 6Article
Fast estimation of crystal densitiesHOFMANN, Detlef Walter.Acta crystallographica. Section B, Structural science. 2002, Vol 58, Num 3, pp 489-493, issn 0108-7681, 2Article
Functional crystals : Search criteria and design principlesHONG ZHANG; XIMIN WANG; KECONG ZHANG et al.Journal of solid state chemistry (Print). 2000, Vol 152, Num 1, pp 191-198, issn 0022-4596Article
Reconstruction of random microstructures: a stochastic optimization problemBOCHENEK, Bogdan; PYRZ, Ryszard.Computational materials science. 2004, Vol 31, Num 1-2, pp 93-112, issn 0927-0256, 20 p.Article
Orientational order in solid N2O-Kr solutionsSOLODOVNIK, A. A; DANCHUK, V. V.Journal of low temperature physics. 2001, Vol 122, Num 3-4, pp 493-499, issn 0022-2291Conference Paper
The complex stoichiometry of ternary alloys: What lies beyond the canonical Bernoulli distribution?ROBOUCH, B. V; MARCELLI, A; CORDEIRO RAPOSO, F et al.Solid state communications. 2014, Vol 192, pp 75-78, issn 0038-1098, 4 p.Article
Atomistic modelling of polycrystalline microstructures: An evolutional approach to overcome topological restrictionsLEONARDI, Alberto; LEONI, Matteo; SCARDI, Paolo et al.Computational materials science. 2013, Vol 67, pp 238-242, issn 0927-0256, 5 p.Article
Conformationally Assisted Negative Area Compression in Methyl BenzoateWEIZHAO CAI; KATRUSIAK, Andrzej.Journal of physical chemistry. C. 2013, Vol 117, Num 41, pp 21460-21465, issn 1932-7447, 6 p.Article
First-principles local stress in crystalline and amorphous metalsNICHOLSON, D. M; OJHA, Madhusudan; EGAMI, T et al.Journal of physics. Condensed matter (Print). 2013, Vol 25, Num 43, issn 0953-8984, 435505.1-435505.11Article
First-principles study of L12―Al3(Sc1―xTMx) alloys using special quasirandom structuresWANG, Ren-Nian; LI MA; PAN, Rong-Kai et al.Computational materials science. 2013, Vol 79, pp 136-142, issn 0927-0256, 7 p.Article
Investigations of the Very Short Hydrogen Bond in the Crystal of Nitromalonamide via Car―Parrinello and Path Integral Molecular DynamicsDURLAK, Piotr; MIERZWICKI, Krzysztof; LATAJKA, Zdzislaw et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 18, pp 5430-5440, issn 1520-6106, 11 p.Article
On the use of symmetry in configurational analysis for the simulation of disordered solidsMUSTAPHA, Sami; D'ARCO, Philippe; DE LA PIERRE, Marco et al.Journal of physics. Condensed matter (Print). 2013, Vol 25, Num 10, issn 0953-8984, 105401.1-105401.16Article
Mean-field granocentric approach in 2D & 3D polydisperse, frictionless packingsO'DONOVAN, Cathal B; CORWIN, Eric I; MÖBIUS, Matthias E et al.Philosophical magazine (2003. Print). 2013, Vol 93, Num 31-33, pp 4030-4056, issn 1478-6435, 27 p.Conference Paper
Computational study of Hf, Ta, W, Re, Ir, Os and Pt pernitridesSOTO, G.Computational materials science. 2012, Vol 61, pp 1-5, issn 0927-0256, 5 p.Article
First principles calculations on the effect of pressure on SiH4(H2)2SHANAVAS, K. V; POSWAL, H. K; SHARMA, Surinder M et al.Solid state communications. 2012, Vol 152, Num 10, pp 873-877, issn 0038-1098, 5 p.Article
Generating derivative structures at a fixed concentrationHART, Gus L. W; NELSON, Lance J; FORCADE, Rodney W et al.Computational materials science. 2012, Vol 59, pp 101-107, issn 0927-0256, 7 p.Article
Precise generation of complex statistical Representative Volume Elements (RVEs) in a finite element contextHITTI, K; LAURE, P; COUPEZ, T et al.Computational materials science. 2012, Vol 61, pp 224-238, issn 0927-0256, 15 p.Article
Statistical direct methods revisited. Solving the constraintsBROSIUS, Jan.Zeitschrift für Kristallographie. 2012, Vol 227, Num 4, pp 190-198, issn 0044-2968, 9 p.Article
FeII induced mineralogical transformations of ferric oxyhydroxides into magnetite of variable stoichiometry and morphologyUSMAN, M; ABDELMOULA, M; HANNA, K et al.Journal of solid state chemistry (Print). 2012, Vol 194, pp 328-335, issn 0022-4596, 8 p.Article