-
1
-
-
77949279138
-
Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts
-
10.1107/S0108270110001940/gd3320sup1.cif.
-
Balamurugan P. Jagan R. Sivakumar K. Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts. Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 2010, 66:o109-o113. 10.1107/S0108270110001940/gd3320sup1.cif.
-
(2010)
Acta Crystallogr., Sect. C: Cryst. Struct. Commun.
, vol.66
-
-
Balamurugan, P.1
Jagan, R.2
Sivakumar, K.3
-
3
-
-
25744460922
-
Projector augmented-wave method
-
10.1103/PhysRevB.50.17953.
-
Blöchl P.E. Projector augmented-wave method. Phys. Rev. 1994, 50:17953-17979. 10.1103/PhysRevB.50.17953.
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Blöchl, P.E.1
-
5
-
-
0000355391
-
A simplified criterion for the reliability of a powder pattern indexing
-
10.1107/S002188986800508X.
-
de Wolf P.M. simplified criterion for the reliability of powder pattern indexing. J. Appl. Crystallogr. 1968, 1:108-113. 10.1107/S002188986800508X.
-
(1968)
J. Appl. Crystallogr.
, vol.1
, pp. 108-113
-
-
de Wolf, P.M.1
-
7
-
-
67651160601
-
Crystallography Open Database - an open-access collection of crystal structures
-
10.1107/S0021889809016690.
-
Gražulis S. Chateigner D. Downs R.T. Yokochi A.F. T. Quirós M. Lutterotti L. Manakova E. Butkus J. Moeck P. Le Bail A. Crystallography Open Database an open-access collection of crystal structures. J. Appl. Crystallogr. 2009, 42:726-729. 10.1107/S0021889809016690.
-
(2009)
J. Appl. Crystallogr.
, vol.42
, pp. 726-729
-
-
Gražulis, S.1
Chateigner, D.2
Downs, R.T.3
Yokochi, A.F.T.4
Quirós, M.5
Lutterotti, L.6
Manakova, E.7
Butkus, J.8
Moeck, P.9
Le Bail, A.10
-
10
-
-
80054970193
-
Dihydrogen phosphate and hydrogen sulphate of 1,4-dimethyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium: Crystal structures, hydrogen bonding and infrared spectra
-
10.1007/s10870-011-0137-0
-
Kaman O. Smrčok L. Císařová I. Havlíček D. Dihydrogen phosphate and hydrogen sulphate of 1,4-dimethyl-1,4-diazabicyclo[2.2.2]octane-1,4-diium: Crystal structures, hydrogen bonding and infrared spectra. J. Chem. Crystallogr. 2011, 41:1539-1546. 10.1007/s10870-011-0137-0.
-
(2011)
J. Chem. Crystallogr.
, vol.41
, pp. 1539-1546
-
-
Kaman, O.1
Smrčok, L.2
Císařová, I.3
Havlíček, D.4
-
11
-
-
34547775844
-
3,4-diaminopyridinium hydrogen squarate
-
10.1107/S1600536807031170/bt2412sup1.cif.
-
Koleva B. Tsanev T. Kolev T. Mayer-Figge H. Sheldrick W.S. 3,4-diaminopyridinium hydrogen squarate. Acta Crystallogr., Sect. E: Struct. Rep. Online 2007, 63:o3556. 10.1107/S1600536807031170/bt2412sup1.cif.
-
(2007)
Acta Crystallogr., Sect. E: Struct. Rep. Online
, vol.63
-
-
Koleva, B.1
Tsanev, T.2
Kolev, T.3
Mayer-Figge, H.4
Sheldrick, W.S.5
-
12
-
-
43449134672
-
Spectroscopic and structural elucidation of 3,4-diaminopyridine and its hydrogentartarate salt: Crystal structure of 3,4-diaminopyridinium hydrogentartarate dihydrate
-
10.1016/j.molstruc.2007.09.006.
-
Koleva B. Kolev T. Tsanev T. Kotov S. Mayer-Figge H. Seidel R.W. Sheldrick W.S. Spectroscopic and structural elucidation of 3,4-diaminopyridine and its hydrogentartarate salt: Crystal structure of 3,4-diaminopyridinium hydrogentartarate dihydrate. J. Mol. Struct. 2008, 881:146-155. 10.1016/j.molstruc.2007.09.006.
-
(2008)
J. Mol. Struct.
, vol.881
, pp. 146-155
-
-
Koleva, B.1
Kolev, T.2
Tsanev, T.3
Kotov, S.4
Mayer-Figge, H.5
Seidel, R.W.6
Sheldrick, W.S.7
-
13
-
-
2442537377
-
Efficient iterative scheme for ab initio total energy calculations using a plane-wave basis set
-
10.1103/PhysRevB.54.11169.
-
Kresse G. Furthmüller J. Efficient iterative scheme for ab initio total energy calculations using plane-wave basis set. Phys. Rev. 1996a, 54:11169-11186. 10.1103/PhysRevB.54.11169.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169-11186
-
-
Kresse, G.1
Furthmüller, J.2
-
14
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
10.1016/0927-0256(96)00008-0.
-
Kresse G. Furthmüller J. Efficiency of ab-initio total energy calculations for metals and semiconductors using plane-wave basis set. Comput. Mater. Sci. 1996b, 6:15-50. 10.1016/0927-0256(96)00008-0.
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmüller, J.2
-
15
-
-
35949007146
-
Ab initio molecular dynamics for open-shell transition metals
-
10.1103/PhysRevB.48.13115.
-
Kresse G. Hafner J. Ab initio molecular dynamics for open-shell transition metals. Phys. Rev. 1993, 48:13115-13118. 10.1103/PhysRevB.48.13115.
-
(1993)
Phys. Rev. B
, vol.48
, pp. 13115-13118
-
-
Kresse, G.1
Hafner, J.2
-
16
-
-
0028763270
-
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
-
10.1088/0953-8984/6/40/015.
-
Kresse G. Hafner J. Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements. J. Phys.: Condens. Matter 1994, 6:8245-8527. 10.1088/0953-8984/6/40/015.
-
(1994)
J. Phys.: Condens. Matter
, vol.6
, pp. 8245-8527
-
-
Kresse, G.1
Hafner, J.2
-
17
-
-
0011236321
-
From ultrasoft potentials to the projector augmented wave method
-
10.1103/PhysRevB.59.1758.
-
Kresse G. Joubert J. From ultrasoft potentials to the projector augmented wave method. Phys. Rev. 1999, 59:1758-1775. 10.1103/PhysRevB.59.1758.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, J.2
-
18
-
-
0035915326
-
Very strong C-H...O, N-H...O, and O-H...O hydrogen bonds involving a cyclic phosphate
-
10.1021/ja010713x.
-
Kumara Swamy K.C. Kumaraswamy S. Kommana P. Very strong C-H...O, N-H...O, and O-H...O hydrogen bonds involving cyclic phosphate. J. Am. Chem. Soc. 2001, 123:12642-12643. 10.1021/ja010713x.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 12642-12643
-
-
Kumara Swamy, K.C.1
Kumaraswamy, S.2
Kommana, P.3
-
19
-
-
0035189857
-
ESPOIR: A program for solving structures by Monte Carlo from powder diffraction data
-
Le Bail A. ESPOIR: program for solving structures by Monte Carlo from powder diffraction data. Mater. Sci. Forum 2001, 378-381:65-70. 10.4028/www.scientific.net/MSF.378-381.65.
-
(2001)
Mater. Sci. Forum
, vol.378-381
, pp. 65-70
-
-
Le Bail, A.1
-
20
-
-
5044226926
-
Monte Carlo indexing with MCMAILLE
-
10.1154/1.1763152.
-
Le Bail A. Monte Carlo indexing with MCMAILLE. Powder Diffr. 2004, 19:249-254. 10.1154/1.1763152.
-
(2004)
Powder Diffr.
, vol.19
, pp. 249-254
-
-
Le Bail, A.1
-
21
-
-
29244478653
-
Whole powder pattern decomposition methods and applications-A retrospection
-
10.1154/1.2135315.
-
Le Bail A. Whole powder pattern decomposition methods and applications-A retrospection. Powder Diffr. 2005, 20:316-326. 10.1154/1.2135315.
-
(2005)
Powder Diffr.
, vol.20
, pp. 316-326
-
-
Le Bail, A.1
-
22
-
-
84890651474
-
Structure solution
-
A. Clearfield, J. Reibenspies, N. Bhuvaneshin , edited by and (Wiley, New York)
-
Le Bail A. Structure solution. Principles and Applications of Powder Diffraction 2008, 261-309. A. Clearfield, J. Reibenspies, N. Bhuvanesh in edited by and (Wiley, New York)
-
(2008)
Principles and Applications of Powder Diffraction
, pp. 261-309
-
-
Le Bail, A.1
-
23
-
-
69549098117
-
Third structure determination by powder diffractometry round robin (SDPDRR-3)
-
10.1154/1.3200881.
-
Le Bail A. Cranswick L.M. D. Adil K. Altomare A. Avdeev M. Cerny R. Cuocci C. Giacovazzo C. Halasz I. Lapidus S.H. Louwen J.N. Moliterni A. Palatinus L. Rizzi R. Schilder E.C. Stephens P.W. Stone K.H. van Mechelen J. Third structure determination by powder diffractometry round robin (SDPDRR-3). Powder Diffr. 2009, 24:254-262. 10.1154/1.3200881.
-
(2009)
Powder Diffr.
, vol.24
, pp. 254-262
-
-
Le Bail, A.1
Cranswick, L.M.D.2
Adil, K.3
Altomare, A.4
Avdeev, M.5
Cerny, R.6
Cuocci, C.7
Giacovazzo, C.8
Halasz, I.9
Lapidus, S.H.10
Louwen, J.N.11
Moliterni, A.12
Palatinus, L.13
Rizzi, R.14
Schilder, E.C.15
Stephens, P.W.16
Stone, K.H.17
van Mechelen, J.18
-
24
-
-
0037198455
-
Phenylphosphonic acid as a building block for two-dimensional hydrogen-bonded supramolecular array
-
10.1016/S0022-2860(01)00954-1
-
Mahmoudkhani A.H. Langer V. Phenylphosphonic acid as a building block for two-dimensional hydrogen-bonded supramolecular array. J. Mol. Struct. 2002, 609:97-108. 10.1016/S0022-2860(01)00954-1.
-
(2002)
J. Mol. Struct.
, vol.609
, pp. 97-108
-
-
Mahmoudkhani, A.H.1
Langer, V.2
-
26
-
-
0024367939
-
2,4-Diaminopyridine in the treatment of Lambert-Eaton mysathenic syndrome
-
10.1056/NEJM198912073212303.
-
McEvoy K.M. Windebank A.J. Daube J.R. Low P.A. 2,4-Diaminopyridine in the treatment of Lambert-Eaton mysathenic syndrome. N. Engl. J. Med. 1989, 321:1567-1571. 10.1056/NEJM198912073212303.
-
(1989)
N. Engl. J. Med.
, vol.321
, pp. 1567-1571
-
-
McEvoy, K.M.1
Windebank, A.J.2
Daube, J.R.3
Low, P.A.4
-
27
-
-
33645898818
-
Accurate and simple analytic representation of the electron-gas correlation energy
-
10.1103/PhysRevB.45.13244.
-
Perdew J.P. Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys. Rev. 1992, 45:13244-13249. 10.1103/PhysRevB.45.13244.
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244-13249
-
-
Perdew, J.P.1
Wang, Y.2
-
28
-
-
77952535964
-
Current therapy for Lambert-Eaton myasthenic syndrome: Development of 3,4-diaminopyridine phosphate salt as first-line symptomatic treatment
-
10.1185/03007991003745209.
-
Quartel A. Turbeville S. Lounsbury D. Current therapy for Lambert-Eaton myasthenic syndrome: Development of 3,4-diaminopyridine phosphate salt as first-line symptomatic treatment. Curr. Med. Res. Opin. 2010, 26:1363-1375. 10.1185/03007991003745209.
-
(2010)
Curr. Med. Res. Opin.
, vol.26
, pp. 1363-1375
-
-
Quartel, A.1
Turbeville, S.2
Lounsbury, D.3
-
29
-
-
0002211129
-
A profile refinement method for nuclear and magnetic structures
-
10.1107/S0021889869006558.
-
Rietveld H.M. profile refinement method for nuclear and magnetic structures. J. Appl. Crystallogr. 1969, 2:65-71. 10.1107/S0021889869006558.
-
(1969)
J. Appl. Crystallogr.
, vol.2
, pp. 65-71
-
-
Rietveld, H.M.1
-
30
-
-
0027677473
-
Recent advances in magnetic-structure determination by neutron powder diffraction
-
10.1016/0921-4526(93)90108-I.
-
Rodriguez-Carvajal J. Recent advances in magnetic-structure determination by neutron powder diffraction. Physica 1993, 192:55-69. 10.1016/0921-4526(93)90108-I.
-
(1993)
Physica B
, vol.192
, pp. 55-69
-
-
Rodriguez-Carvajal, J.1
-
33
-
-
0002087368
-
FN: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing
-
10.1107/S002188987901178X.
-
Smith G.S. Snyder R.L. FN: criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing. J. Appl. Crystallogr. 1979, 12:60-65. 10.1107/S002188987901178X.
-
(1979)
J. Appl. Crystallogr.
, vol.12
, pp. 60-65
-
-
Smith, G.S.1
Snyder, R.L.2
-
34
-
-
63849315632
-
1,4-Diazabicyclo[2.2.2]octane-1,4-diium dihydrogenphosphate monohydrate from X-ray and neutron data
-
10.1524/zkri.2009.1127.
-
Smrčok T. Havlíček D. Kaman O. Rundlof H. 1,4-Diazabicyclo[2.2.2]octane-1,4-diium dihydrogenphosphate monohydrate from X-ray and neutron data. Z. Kristallogr. 2009, 224:174-178. 10.1524/zkri.2009.1127.
-
(2009)
Z. Kristallogr.
, vol.224
, pp. 174-178
-
-
Smrčok, T.1
Havlíček, D.2
Kaman, O.3
Rundlof, H.4
-
35
-
-
0001792356
-
Single crystal structure validation with the program PLATON
-
10.1107/S0021889802022112.
-
Spek A.L. Single crystal structure validation with the program PLATON. J. Appl. Crystallogr. 2003, 36:7-13. 10.1107/S0021889802022112.
-
(2003)
J. Appl. Crystallogr.
, vol.36
, pp. 7-13
-
-
Spek, A.L.1
-
36
-
-
84876667297
-
-
See supplementary material at E-PODIE2-26-011104 for the crystallographic information file (CIF).
-
See supplementary material at E-PODIE2-26-011104 for the crystallographic information file (CIF).
-
-
-
|