Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 117

1.

Experimental formation enthalpies for intermetallic phases and other inorganic compounds.

Kim G, Meschel SV, Nash P, Chen W.

Sci Data. 2017 Oct 24;4:170162. doi: 10.1038/sdata.2017.162.

2.

Enthalpies of formation of Cd-Pr intermetallic compounds and thermodynamic assessment of the Cd-Pr system.

Reichmann TL, Richter KW, Delsante S, Borzone G, Ipser H.

CALPHAD. 2014 Dec;47:56-62.

3.

The impact of Ti and temperature on the stability of Nb5Si3 phases: a first-principles study.

Papadimitriou I, Utton C, Tsakiropoulos P.

Sci Technol Adv Mater. 2017 Jul 10;18(1):467-479. doi: 10.1080/14686996.2017.1341802. eCollection 2017.

4.

Energetics and thermodynamic stability of the mixed valence ytterbium germanides.

Balducci G, Brutti S, Ciccioli A, Gigli G, Palenzona A, Pani M.

J Phys Chem B. 2007 May 17;111(19):5132-9. Epub 2007 Apr 20.

PMID:
17444673
5.

A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers.

Ribeiro da Silva MA, Monte MJ, Lobo Ferreira AI, Oliveira JA, Cimas Á.

J Phys Chem B. 2010 Oct 14;114(40):12914-25. doi: 10.1021/jp1058885.

PMID:
20860353
6.

A combined experimental and computational thermodynamic study of the isomers of pyrrolecarboxaldehyde and 1-methyl- pyrrolecarboxaldehyde.

Santos AF, da Silva MA.

J Phys Chem B. 2011 Nov 3;115(43):12549-57. doi: 10.1021/jp2068057. Epub 2011 Oct 7.

PMID:
21888319
7.

Thermodynamic and ab initio analysis of the controversial enthalpy of formation of formaldehyde.

da Silva G, Bozzelli JW, Sebbar N, Bockhorn H.

Chemphyschem. 2006 May 12;7(5):1119-26.

PMID:
16596698
8.

Enthalpies of Formation of Hydrazine and Its Derivatives.

Dorofeeva OV, Ryzhova ON, Suchkova TA.

J Phys Chem A. 2017 Jul 20;121(28):5361-5370. doi: 10.1021/acs.jpca.7b04914. Epub 2017 Jul 5.

PMID:
28636377
9.

Insight into the electronic and mechanical properties of novel TMCrSi ternary silicides from first-principles calculations.

Pan Y, Guan WM, Li YQ.

Phys Chem Chem Phys. 2018 Jun 13;20(23):15863-15870. doi: 10.1039/c8cp01579a.

PMID:
29845126
10.

Experimental and computational thermochemical study of sulfur-containing amino acids: L-cysteine, L-cystine, and L-cysteine-derived radicals. S-S, S-H, and C-S bond dissociation enthalpies.

Roux MV, Foces-Foces C, Notario R, da Silva MA, da Silva Md, Santos AF, Juaristi E.

J Phys Chem B. 2010 Aug 19;114(32):10530-40.

PMID:
20734495
11.

Pairwise substitution effects, inter- and intramolecular hydrogen bonds in methoxyphenols and dimethoxybenzenes. Thermochemistry, calorimetry, and first-principles calculations.

Varfolomeev MA, Abaidullina DI, Solomonov BN, Verevkin SP, Emel'yanenko VN.

J Phys Chem B. 2010 Dec 16;114(49):16503-16. doi: 10.1021/jp108459r. Epub 2010 Nov 18.

PMID:
21086965
12.

Enthalpies of Formation of (Cu,Ni)3Sn, (Cu,Ni)6Sn5-HT and (Ni,Cu)3Sn2-HT.

Schmetterer C, Rodriguez-Hortala M, Flandorfer H.

J Phase Equilibria Diffus. 2014;35:429-433. Epub 2014 Apr 12.

13.

Structural and relative stabilities, electronic properties and possible reactive routing of osmium and ruthenium borides from first-principles calculations.

Wang Y, Yao T, Wang LM, Yao J, Li H, Zhang J, Gou H.

Dalton Trans. 2013 May 21;42(19):7041-50. doi: 10.1039/c3dt32918f.

PMID:
23515500
14.

Organic carbonates: experiment and ab initio calculations for prediction of thermochemical properties.

Verevkin SP, Emel'yanenko VN, Kozlova SA.

J Phys Chem A. 2008 Oct 23;112(42):10667-73. doi: 10.1021/jp8024705. Epub 2008 Oct 1.

PMID:
18826197
15.

Pyrochlore and perovskite potassium tantalate: enthalpies of formation and phase transformation.

Zlotnik S, Sahu SK, Navrotsky A, Vilarinho PM.

Chemistry. 2015 Mar 23;21(13):5231-7. doi: 10.1002/chem.201405666. Epub 2015 Feb 16.

PMID:
25688734
16.

First-principles screening of complex transition metal hydrides for high temperature applications.

Nicholson KM, Sholl DS.

Inorg Chem. 2014 Nov 17;53(22):11833-48. doi: 10.1021/ic501990p. Epub 2014 Oct 31.

PMID:
25361475
17.

Experimental and computational thermodynamic study of three monofluoronitrobenzene isomers.

Ribeiro da Silva MA, Monte MJ, Lobo Ferreira AI, Oliveira JA, Cimas A.

J Phys Chem B. 2010 Jun 17;114(23):7909-19. doi: 10.1021/jp102024y.

PMID:
20499892
18.

Discovery of Intermetallic Compounds from Traditional to Machine-Learning Approaches.

Oliynyk AO, Mar A.

Acc Chem Res. 2018 Jan 16;51(1):59-68. doi: 10.1021/acs.accounts.7b00490. Epub 2017 Dec 15.

PMID:
29244479
19.

Phase stability and elastic properties of chromium borides with various stoichiometries.

Wang B, Wang de Y, Cheng Z, Wang X, Wang YX.

Chemphyschem. 2013 Apr 15;14(6):1245-55. doi: 10.1002/cphc.201201009. Epub 2013 Feb 25.

PMID:
23441017

Supplemental Content

Support Center