-
3
-
-
33646621904
-
First-principles calculation of the electric filed gradient in hcp metals
-
Blaha, P., Schwarz, K., and Dederichs, P.H. (1988) First-principles calculation of the electric filed gradient in hcp metals. Physical Review, B37, 2792-2796.
-
(1988)
Physical Review
, vol.B37
, pp. 2792-2796
-
-
Blaha, P.1
Schwarz, K.2
Dederichs, P.H.3
-
4
-
-
0025446594
-
Full potential linearized augmented plane wave programs for crystalline systems
-
Blaha, P., Schwarz, K., and Sorantin, P. (1990) Full potential linearized augmented plane wave programs for crystalline systems. Computational Physics Communication, 59, 39-415.
-
(1990)
Computational Physics Communication
, vol.59
, pp. 39-415
-
-
Blaha, P.1
Schwarz, K.2
Sorantin, P.3
-
5
-
-
0000334228
-
Electric-field-gradient calculations for systems with large extended-core-state contributions
-
Blaha, P., Singh, D.J., Sorantin, P.I., and Schwarz, K. (1992) Electric-field-gradient calculations for systems with large extended-core-state contributions. Physical Review, B46, 1321-1325.
-
(1992)
Physical Review
, vol.B46
, pp. 1321-1325
-
-
Blaha, P.1
Singh, D.J.2
Sorantin, P.I.3
Schwarz, K.4
-
6
-
-
0003417617
-
WIEN2k, an augmented plane wave+local orbitals program for calculating crystal properties
-
Karlheinz Schwarz, Technische Universität Wien, Vienna
-
Blaha, P., Schwarz, K., Madsen, G.K., Kvasnicka, D., and Luitz, J. (2001) WIEN2k, an augmented plane wave+local orbitals program for calculating crystal properties. Karlheinz Schwarz, Technische Universität Wien, Vienna.
-
(2001)
-
-
Blaha, P.1
Schwarz, K.2
Madsen, G.K.3
Kvasnicka, D.4
Luitz, J.5
-
8
-
-
0001586427
-
27Al NMR of Andalusite and Calculated Electric Field Gradients: The First Complete NMR Assignment for a 5-Coordinate Aluminum Site
-
27Al NMR of Andalusite and Calculated Electric Field Gradients: the First Complete NMR Assignment for a 5-Coordinate Aluminum Site. Journal of Physical Chemistry, 103, 5246-5252.
-
(1999)
Journal of Physical Chemistry
, vol.103
, pp. 5246-5252
-
-
Bryant, P.L.1
Harwell, C.R.2
Wu, K.3
Fronczek, F.R.4
-
9
-
-
33846457840
-
The crystal structure of thomsenolite
-
Cocco, G., Castiglione, P.C., and Vagliasindi, G. (1967) The crystal structure of thomsenolite. Acta Crystallographica, 23, 162-166.
-
(1967)
Acta Crystallographica
, vol.23
, pp. 162-166
-
-
Cocco, G.1
Castiglione, P.C.2
Vagliasindi, G.3
-
10
-
-
0042776310
-
Density functional theory and family of (L)APW-methods: A step-by-step introduction
-
Instituut voor Kern-en Stralingsfysica, K.U. Leuven, Belgium
-
Cottenier, S. (2002) Density functional theory and family of (L)APW-methods: a step-by-step introduction. Instituut voor Kern-en Stralingsfysica, K.U. Leuven, Belgium.
-
(2002)
-
-
Cottenier, S.1
-
11
-
-
0037156147
-
Simple and efficient decoupling in magic-angle spinning solid-state NMR. The XiX scheme
-
Detken, A., Hardy, E.H., Ernst, M., and Meier, B.H. (2002) Simple and efficient decoupling in magic-angle spinning solid-state NMR. The XiX scheme. Physical Chemical Letters, 356, 299-304.
-
(2002)
Physical Chemical Letters
, vol.356
, pp. 299-304
-
-
Detken, A.1
Hardy, E.H.2
Ernst, M.3
Meier, B.H.4
-
14
-
-
0021116990
-
Ralstonit: Ein Beitrag zur Kenntnis von Zusammensetzung und Kristallstruktur
-
Effenberger, H. and Kluger, F. (1984) Ralstonit: ein Beitrag zur Kenntnis von Zusammensetzung und Kristallstruktur. Neues Jahrbuch fur Minerolgie Monatschefe, H.3, 97-108.
-
(1984)
Neues Jahrbuch Fur Minerolgie Monatschefe
, Issue.3
, pp. 97-108
-
-
Effenberger, H.1
Kluger, F.2
-
16
-
-
1842797317
-
Observations on some aluminum fluoride minerals
-
Ferguson, R.B. (1949) Observations on some aluminum fluoride minerals. American Mineralogist, 24, 383-397.
-
(1949)
American Mineralogist
, vol.24
, pp. 383-397
-
-
Ferguson, R.B.1
-
20
-
-
0003297847
-
Re-examination of the crystal structure of weberite
-
Giuseppetti, G. and Tadini, C. (1978) Re-examination of the crystal structure of weberite. TMPM Tschermaks Mineralogie, Petrographie Mitteilungen, 25, 57-62.
-
(1978)
TMPM Tschermaks Mineralogie, Petrographie Mitteilungen
, vol.25
, pp. 57-62
-
-
Giuseppetti, G.1
Tadini, C.2
-
22
-
-
0021284056
-
The crystal structure of stenonite and the classification of the aluminofluoride minerals
-
Hawthorne, F.C. (1984) The crystal structure of stenonite and the classification of the aluminofluoride minerals. Canadian Mineralogist, 22, 245-251.
-
(1984)
Canadian Mineralogist
, vol.22
, pp. 245-251
-
-
Hawthorne, F.C.1
-
23
-
-
0011661945
-
Refinement of the crystal structure of cryolite
-
Hawthorne, F.C. and Ferguson, R.B. (1975) Refinement of the crystal structure of cryolite. Canadian Mineralogist, 13, 377-382.
-
(1975)
Canadian Mineralogist
, vol.13
, pp. 377-382
-
-
Hawthorne, F.C.1
Ferguson, R.B.2
-
27
-
-
0000243840
-
What is the true space group of weberite?
-
Knop, O., Cameron, T.S., and Jochem, K. (1982) What is the true space group of weberite? Journal of Solid State Chemistry, 43, 213-221.
-
(1982)
Journal of Solid State Chemistry
, vol.43
, pp. 213-221
-
-
Knop, O.1
Cameron, T.S.2
Jochem, K.3
-
28
-
-
0042113153
-
Self-consistent equation including exchange and correlation effects
-
Kohn, W. and Sham, L.J. (1965) Self-consistent equation including exchange and correlation effects. Physical Review, 140(4A), 1133-1138.
-
(1965)
Physical Review
, vol.140
, Issue.4 A
, pp. 1133-1138
-
-
Kohn, W.1
Sham, L.J.2
-
29
-
-
28444479161
-
Dynamic Effects in MAS and MQMAS NMR Spectra of Half-Integer Quadrupolar Nuclei: Calculations and an Application to the Double Perovskite Cryolite
-
Kotecha, M., Chaudhuri, S., Grey, C.P., and Frydman, L. (2005) Dynamic Effects in MAS and MQMAS NMR Spectra of Half-Integer Quadrupolar Nuclei: Calculations and an Application to the Double Perovskite Cryolite. Journal of American Chemistry Society, 127, 16701-16712.
-
(2005)
Journal of American Chemistry Society
, vol.127
, pp. 16701-16712
-
-
Kotecha, M.1
Chaudhuri, S.2
Grey, C.P.3
Frydman, L.4
-
30
-
-
0032330386
-
Resolution enhancement in solid-state MQ-MAS experiments achieved by composite decoupling
-
Lacassagne, V., Florian, P., Montouillout, V., Gervais, C., Babonneau, F., and Massiot, D. (1998) Resolution enhancement in solid-state MQ-MAS experiments achieved by composite decoupling. Magnetic Resonance in Chemistry, 36, 956-959.
-
(1998)
Magnetic Resonance in Chemistry
, vol.36
, pp. 956-959
-
-
Lacassagne, V.1
Florian, P.2
Montouillout, V.3
Gervais, C.4
Babonneau, F.5
Massiot, D.6
-
31
-
-
0002630275
-
Modelling one- and two-dimensional Solid State NMR spectra
-
Massiot, D., Fayon, F., Capron, M., King, I., Le Calvé, S., Alonso, B., Durand, J-O., Bujoli, B., Gan, Z., and Hoatson, G. (2002) Modelling one- and two-dimensional Solid State NMR spectra. Magnetic Resonance in Chemistry, 40, 70-76.
-
(2002)
Magnetic Resonance in Chemistry
, vol.40
, pp. 70-76
-
-
Massiot, D.1
Fayon, F.2
Capron, M.3
King, I.4
Le Calvé, S.5
Alonso, B.6
Durand, J.-O.7
Bujoli, B.8
Gan, Z.9
Hoatson, G.10
-
33
-
-
33744805491
-
Formula and structure of ralstonite
-
Pabst, A. (1939) Formula and structure of ralstonite. American Mineralogist, 24, 566-576.
-
(1939)
American Mineralogist
, vol.24
, pp. 566-576
-
-
Pabst, A.1
-
34
-
-
0021580473
-
A new model for quantitative analysis, 1. Applications to the analysis of homogenous samples
-
Pouchou, J.L. and Pichoir, F. (1984) A new model for quantitative analysis, 1. Applications to the analysis of homogenous samples. La Recherche Aerospatiale, 3, 13-38.
-
(1984)
La Recherche Aerospatiale
, vol.3
, pp. 13-38
-
-
Pouchou, J.L.1
Pichoir, F.2
-
35
-
-
0001270030
-
"PAP" ((φ-p-z) procedure for improved quantitative microanalysis
-
Pouchou, J.L. and Pichoir, F. (1985) "PAP" ((φ-p-z) procedure for improved quantitative microanalysis. Microbeam Analysis, 104-106.
-
(1985)
Microbeam Analysis
, pp. 104-106
-
-
Pouchou, J.L.1
Pichoir, F.2
-
37
-
-
0035841045
-
Spectroscopic nuclear quadrupole moments
-
Pyykkö, P. (2001) Spectroscopic nuclear quadrupole moments. Molecular Physics, 99, 1617-1629.
-
(2001)
Molecular Physics
, vol.99
, pp. 1617-1629
-
-
Pyykkö, P.1
-
38
-
-
0023501789
-
Structure refinement of elpasolite from Cetine mine, Tuscany, Italy. N
-
Sabelli, C. (1987) Structure refinement of elpasolite from Cetine mine, Tuscany, Italy. N. Neues Jahrbuch fur Minerolgie Monatschefe, 11, 481-487.
-
(1987)
Neues Jahrbuch Fur Minerolgie Monatschefe
, vol.11
, pp. 481-487
-
-
Sabelli, C.1
-
39
-
-
0001664098
-
29Si MAS NMR chemical shift from silicate mineral structure
-
29Si MAS NMR chemical shift from silicate mineral structure. Nature, 332, 819-822.
-
(1988)
Nature
, vol.332
, pp. 819-822
-
-
Sherriff, B.L.1
Grundy, H.D.2
-
42
-
-
44949270308
-
Satellite transitions in MAS spectra of quadrupolar nuclei
-
Skibsted, J., Nielsen, N., Bildsøe, H., and Jakobsen, H. (1991) Satellite transitions in MAS spectra of quadrupolar nuclei. Journal of Magnetic Resonance, 95, 117-132.
-
(1991)
Journal of Magnetic Resonance
, vol.95
, pp. 117-132
-
-
Skibsted, J.1
Nielsen, N.2
Bildsøe, H.3
Jakobsen, H.4
-
44
-
-
21344485239
-
27Al NMR techniques to structure determination in solids
-
27Al NMR techniques to structure determination in solids. Applied Magnetic Resonance, 4, 1-64.
-
(1993)
Applied Magnetic Resonance
, vol.4
, pp. 1-64
-
-
Smith, M.E.1
-
46
-
-
0000059834
-
13C MAS NMR linewidths. Phase-modulated irradiation for efficient heteronuclear decoupling in rapidly rotating solids
-
13C MAS NMR linewidths. Phase-modulated irradiation for efficient heteronuclear decoupling in rapidly rotating solids. Journal of Magnetic Resonance, A 107, 129-133.
-
(1994)
Journal of Magnetic Resonance, A
, vol.107
, pp. 129-133
-
-
Tekely, P.1
Palmas, P.2
Canet, D.3
-
47
-
-
0027470265
-
Theoretical Studies of the Speciation of Al in F-bearing Aluminosilicate Glasses
-
Tossell, J.A. (1993) Theoretical Studies of the Speciation of Al in F-bearing Aluminosilicate Glasses. American Mineralogist, 78, 16-22.
-
(1993)
American Mineralogist
, vol.78
, pp. 16-22
-
-
Tossell, J.A.1
-
48
-
-
0033500887
-
23Na NMR shieldings in silicates and aluminosilicates
-
23Na NMR shieldings in silicates and aluminosilicates. Physics and Chemistry of Minerals, 27, 70-80.
-
(1999)
Physics and Chemistry of Minerals
, vol.27
, pp. 70-80
-
-
Tossell, J.A.1
-
49
-
-
36549091176
-
29Si NMR chemical shifts for some gas phase and solid-state silicon fluorides and oxides
-
29Si NMR chemical shifts for some gas phase and solid-state silicon fluorides and oxides. The Journal of Chemical Physics, 84, 369-374.
-
(1986)
The Journal of Chemical Physics
, vol.84
, pp. 369-374
-
-
Tossell, J.A.1
Lazzeretti, P.2
-
50
-
-
0030454297
-
Ab initio calculation of electric-field-gradient tensors of forsterite
-
Winkler, B., Blaha, P., and Schwarz, K. (1996) Ab initio calculation of electric-field-gradient tensors of forsterite. American Mineralogist, 81, 545-549.
-
(1996)
American Mineralogist
, vol.81
, pp. 545-549
-
-
Winkler, B.1
Blaha, P.2
Schwarz, K.3
-
51
-
-
1642324539
-
Quantum calculations of the electronic structure and NMR quadrupolar interaction parameters for tugtupite
-
Zhou, B. and Sherriff, B.L. (2004) Quantum calculations of the electronic structure and NMR quadrupolar interaction parameters for tugtupite. American Mineralogist, 89, 377-381.
-
(2004)
American Mineralogist
, vol.89
, pp. 377-381
-
-
Zhou, B.1
Sherriff, B.L.2
-
52
-
-
0242583183
-
Nuclear Magnetic Resonance Study of Al:Si and F:OH order in Zunyite
-
Zhou, B., Sherriff, B.L., Taulelle, F., and Wu, G. (2003) Nuclear Magnetic Resonance Study of Al:Si and F:OH order in Zunyite. Canadian Mineralogist, 41, 891-903.
-
(2003)
Canadian Mineralogist
, vol.41
, pp. 891-903
-
-
Zhou, B.1
Sherriff, B.L.2
Taulelle, F.3
Wu, G.4
|