-
1
-
-
0025635474
-
Multivariable phase diagrams: An algorithm based on generalized thermodynamics
-
Connolly, J.A.D. Multivariable phase diagrams: An algorithm based on generalized thermodynamics. Am. J. Sci. 1990, 290, 666-718.
-
(1990)
Am. J. Sci.
, vol.290
, pp. 666-718
-
-
Connolly, J.A.D.1
-
3
-
-
0020193772
-
Semiconducting and other major properties of gallium arsenide
-
Blakemore, J.S. Semiconducting and other major properties of gallium arsenide. J. Appl. Phys. 1982, 53, R123-R181.
-
(1982)
J. Appl. Phys.
, vol.53
-
-
Blakemore, J.S.1
-
4
-
-
0036827661
-
First-principles computation of material properties: The ABINIT software project
-
Gonze, X.; Beuken, J.M.; Caracas, R.; Detraux, F.; Fuchs, M.; Rignanese, G.M.; Sindic, L.; Verstraete, M.; Zerah, G.; Jollet, F. First-principles computation of material properties: The ABINIT software project. Comput. Mater. Sci. 2002, 25, 478-492.
-
(2002)
Comput. Mater. Sci.
, vol.25
, pp. 478-492
-
-
Gonze, X.1
Beuken, J.M.2
Caracas, R.3
Detraux, F.4
Fuchs, M.5
Rignanese, G.M.6
Sindic, L.7
Verstraete, M.8
Zerah, G.9
Jollet, F.10
-
5
-
-
50249144189
-
Combinatorial materials sciences: Experimental strategies for accelerated knowledge discovery
-
Rajan, K. Combinatorial materials sciences: Experimental strategies for accelerated knowledge discovery. Ann. Rev. Mater. Res. 2008, 38, 299-322.
-
(2008)
Ann. Rev. Mater. Res.
, vol.38
, pp. 299-322
-
-
Rajan, K.1
-
6
-
-
0035356466
-
Band parameters for III-V compound semiconductors and their alloys
-
Vurgaftman, I.; Meyer, J.R.; Ram-Mohan, L.R. Band parameters for III-V compound semiconductors and their alloys. J. Appl. Phys. 2001, 89, 5815-5875.
-
(2001)
J. Appl. Phys.
, vol.89
, pp. 5815-5875
-
-
Vurgaftman, I.1
Meyer, J.R.2
Ram-Mohan, L.R.3
-
7
-
-
0009107388
-
Multicomponent semiconductor material discovery guided by a generalized correlated function expansion
-
Rabitz, H.; Shim, K. Multicomponent semiconductor material discovery guided by a generalized correlated function expansion. J. Chem. Phys. 1999, 111, 10640-10651.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 10640-10651
-
-
Rabitz, H.1
Shim, K.2
-
9
-
-
0003395029
-
-
Springer: Berlin, Germany
-
Landolt, H.H.; Börnstein, R.; Hellwege, K.H.; Madelung, O.; Weiss, H.; Bimberg, D. Numerical Data and Functional Relationships in Science and Technology: New Series; Springer: Berlin, Germany, 1982.
-
(1982)
Numerical Data and Functional Relationships in Science and Technology New Series
-
-
Landolt, H.H.1
Börnstein, R.2
Hellwege, K.H.3
Madelung, O.4
Weiss, H.5
Bimberg, D.6
-
10
-
-
0036045629
-
Quantitative structure-activity relationships (QSARs) for materials science
-
Rajan, K.; Suh, C.; Rajagopalan, A.; Li, X. Quantitative structure-activity relationships (QSARs) for materials science. MRS Proc. 2002, 700, 223-232.
-
(2002)
MRS Proc
, vol.700
, pp. 223-232
-
-
Rajan, K.1
Suh, C.2
Rajagopalan, A.3
Li, X.4
-
11
-
-
0346934867
-
Combinatorial design of semiconductor chemistry for bandgap engineering: "Virtual" combinatorial experimentation
-
Suh, C.; Rajan, K. Combinatorial design of semiconductor chemistry for bandgap engineering: "Virtual" combinatorial experimentation. Appl. Surf. Sci. 2004, 223, 148-158.
-
(2004)
Appl. Surf. Sci.
, vol.223
, pp. 148-158
-
-
Suh, C.1
Rajan, K.2
-
12
-
-
80051765814
-
Identifying the 'inorganic gene' for high-temperature piezoelectric perovskites through statistical learning
-
Balachandran, P.V.; Broderick, S.R.; Rajan, K. Identifying the 'inorganic gene' for high-temperature piezoelectric perovskites through statistical learning. Proc. R. Soc. A 2011, 467, 2271-2290.
-
(2011)
Proc. R. Soc. A
, vol.467
, pp. 2271-2290
-
-
Balachandran, P.V.1
Broderick, S.R.2
Rajan, K.3
-
13
-
-
84857034285
-
Application of principal component analysis to a full profile correlative analysis of FTIR spectra
-
Broderick, S.R.; Suh, C.; Provine, J.; Roper, C.S.; Maboudian, R.; Howe, R.T.; Rajan, K. Application of principal component analysis to a full profile correlative analysis of FTIR spectra. Surf. Interface Anal. 2012, 44, 365-371.
-
(2012)
Surf. Interface Anal.
, vol.44
, pp. 365-371
-
-
Broderick, S.R.1
Suh, C.2
Provine, J.3
Roper, C.S.4
Maboudian, R.5
Howe, R.T.6
Rajan, K.7
-
14
-
-
80052324774
-
Eigenvalue decomposition of spectral features in density of states curves
-
doi:10.1209/0295-5075/95/57005
-
Broderick, S.R.; Rajan, K. Eigenvalue decomposition of spectral features in density of states curves. Europhys. Lett. 2011, 95, doi:10.1209/0295-5075/95/57005.
-
(2011)
Europhys. Lett
, pp. 95
-
-
Broderick, S.R.1
Rajan, K.2
-
15
-
-
77949382919
-
Tracking chemical processing pathways in combinatorial polymer libraries via data mining
-
Broderick, S.R.; Nowers, J.R.; Narasimhan, B.; Rajan, K. Tracking chemical processing pathways in combinatorial polymer libraries via data mining. J. Comb. Chem. 2010, 12, 270-277.
-
(2010)
J. Comb. Chem.
, vol.12
, pp. 270-277
-
-
Broderick, S.R.1
Nowers, J.R.2
Narasimhan, B.3
Rajan, K.4
-
17
-
-
0004204702
-
-
Oxford University Press: New York, NY, USA
-
Emsley, J. The Elements; Oxford University Press: New York, NY, USA, 1998.
-
(1998)
The Elements
-
-
Emsley, J.1
-
18
-
-
1942454274
-
PCA in studying coordination and variability: A tutorial
-
Daffertshofer, A.; Lamoth, C.J.C.; Meijer, O.G.; Beek, P.J. PCA in studying coordination and variability: A tutorial. Clin. Biomech. 2004, 19, 415-428.
-
(2004)
Clin. Biomech.
, vol.19
, pp. 415-428
-
-
Daffertshofer, A.1
Lamoth, C.J.C.2
Meijer, O.G.3
Beek, P.J.4
-
19
-
-
0026958584
-
Principal component analysis and exploratory factor analysis
-
Joliffe, I.T.; Morgan, B.J. Principal component analysis and exploratory factor analysis. Stat. Methods Med. Res. 1992, 1, 69-95.
-
(1992)
Stat. Methods Med. Res.
, vol.1
, pp. 69-95
-
-
Joliffe, I.T.1
Morgan, B.J.2
-
20
-
-
31044456697
-
Principal component analysis for characterising homogeneity in powder mixing using image processing techniques
-
Berthiaux, H.; Mosorov, V.; Tomczak, L.; Gatumel, C.; Demeyre, U. Principal component analysis for characterising homogeneity in powder mixing using image processing techniques. Chem. Eng. Process 2006, 45, 397-403.
-
(2006)
Chem. Eng. Process
, vol.45
, pp. 397-403
-
-
Berthiaux, H.1
Mosorov, V.2
Tomczak, L.3
Gatumel, C.4
Demeyre, U.5
-
21
-
-
0020107693
-
A simple method for the prediction of new intermetallic phases
-
Villars, P.; Girgis, K.; Hulliger, F. A simple method for the prediction of new intermetallic phases. J. Solid State Chem. 1982, 42, 89-100.
-
(1982)
J. Solid State Chem.
, vol.42
, pp. 89-100
-
-
Villars, P.1
Girgis, K.2
Hulliger, F.3
-
22
-
-
11144325691
-
Partial least-squares regression-A tutorial
-
Geladi, P.; Kowalski, B.R. Partial least-squares regression-A tutorial. Anal. Chim. Acta 1986, 185, 1-17.
-
(1986)
Anal. Chim. Acta
, vol.185
, pp. 1-17
-
-
Geladi, P.1
Kowalski, B.R.2
-
23
-
-
0001781024
-
A multivariate calibration-problem in analytical-chemistry solved by partial least-squares models in latent-variables
-
Sjostrom, M.; Wold, S.; Lindberg, W.; Persson, J.A.; Martens, H. A multivariate calibration-problem in analytical-chemistry solved by partial least-squares models in latent-variables. Anal. Chim. Acta 1983, 150, 61-70.
-
(1983)
Anal. Chim. Acta
, vol.150
, pp. 61-70
-
-
Sjostrom, M.1
Wold, S.2
Lindberg, W.3
Persson, J.A.4
Martens, H.5
-
24
-
-
0242365732
-
"Secondary" descriptor development for zeolite framework design: An informatics approach
-
Rajagopalan, A.; Suh, C.W.; Li, X.; Rajan, K. "Secondary" descriptor development for zeolite framework design: An informatics approach. Appl. Catal. A 2003, 254, 147-160.
-
(2003)
Appl. Catal. A
, vol.254
, pp. 147-160
-
-
Rajagopalan, A.1
Suh, C.W.2
Li, X.3
Rajan, K.4
-
25
-
-
84864235209
-
Information theoretic approach for the discovery of design rules for crystal chemistry
-
Kong, C.S.; Luo,W.; Arapan, S.; Villars, P.; Iwata, S.; Ahuja, R.; Rajan, K. Information theoretic approach for the discovery of design rules for crystal chemistry. J. Chem. Inf. Mod. 2012, 52, 1812-1820.
-
(2012)
J. Chem. Inf. Mod.
, vol.52
, pp. 1812-1820
-
-
Kong, C.S.1
Luo, W.2
Arapan, S.3
Villars, P.4
Iwata, S.5
Ahuja, R.6
Rajan, K.7
|