-
1
-
-
0000395802
-
Diffraction studies of crystals at low temperatures-crystallography below 77 K
-
Larsen FK (1995) Diffraction studies of crystals at low temperatures-crystallography below 77 K. Acta Crystallogr B 51:468-482
-
(1995)
Acta Crystallogr B
, vol.51
, pp. 468-482
-
-
Larsen, F.K.1
-
2
-
-
0003626507
-
-
Cambridge Crystallographic Data Center Cambridge Crystallographic Data Center, Cambridge
-
Cambridge Crystallographic Data Center (2010) Cambridge structural database. Cambridge Crystallographic Data Center, Cambridge
-
(2010)
Cambridge Structural Database
-
-
-
5
-
-
34249823317
-
What is a crystal? Introductory remarks to an ongoing discussion
-
Steurer W (2007) What is a crystal? Introductory remarks to an ongoing discussion. Z Kristallogr 222:308-309
-
(2007)
Z Kristallogr
, vol.222
, pp. 308-309
-
-
Steurer, W.1
-
6
-
-
34249816767
-
What is a crystal
-
Lifshitz R (2007) What is a crystal. Z Kristallogr 222:313-317
-
(2007)
Z Kristallogr
, vol.222
, pp. 313-317
-
-
Lifshitz, R.1
-
8
-
-
0001752789
-
The Planck theory of radiation and the theory of specific heat
-
Einstein A (1907) The Planck theory of radiation and the theory of specific heat. Ann Phys 22:180-190
-
(1907)
Ann Phys
, vol.22
, pp. 180-190
-
-
Einstein, A.1
-
9
-
-
84978673769
-
The theory of specific warmth
-
Debye P (1912) The theory of specific warmth. Ann Phys 39:789-839
-
(1912)
Ann Phys
, vol.39
, pp. 789-839
-
-
Debye, P.1
-
12
-
-
84931264514
-
Motion in crystals: The molecular mean field
-
BÜrgi H-B (1995) Motion in crystals: the molecular mean field. Acta Crystallogr B 51:571-579
-
(1995)
Acta Crystallogr B
, vol.51
, pp. 571-579
-
-
Bürgi, H.-B.1
-
13
-
-
0001841380
-
On the rigid-body motion of molecules in crystals
-
Shomaker V, Trueblood KN (1968) On the rigid-body motion of molecules in crystals. Acta Crystallogr B 24:63-76
-
(1968)
Acta Crystallogr B
, vol.24
, pp. 63-76
-
-
Shomaker, V.1
Trueblood, K.N.2
-
14
-
-
84944816027
-
Can X-ray data distinguish bonding effects from vibrational smearing?
-
Hirshfeld FL (1976) Can X-ray data distinguish bonding effects from vibrational smearing? Acta Crystallogr A 32:239-244
-
(1976)
Acta Crystallogr A
, vol.32
, pp. 239-244
-
-
Hirshfeld, F.L.1
-
15
-
-
0030904658
-
-tris(2- hydroxy-3- methylbutyl)-1,4,7-triazacyclononane]
-
DOI 10.1021/ja964264q
-
3L = N, N',N"-tris(2-hydroxy-3- methylbutyl)-1,4,7-triazacyclononane]. J Am Chem Soc 119:5028-5034 (Pubitemid 27272490)
-
(1997)
Journal of the American Chemical Society
, vol.119
, Issue.21
, pp. 5028-5034
-
-
Smith, G.T.1
Mallinson, P.R.2
Frampton, C.S.3
Farrugia, L.J.4
Peacock, R.D.5
Howard, J.A.K.6
-
16
-
-
33645284141
-
3L = N, N',N"-tris(2-hydroxy-3- methylbutyl)-1,4,7-triazacyclononane]: A reappraisal
-
3L = N, N',N"-tris(2-hydroxy-3- methylbutyl)-1,4,7-triazacyclononane]: a reappraisal. Acta Crystallogr B 62:236-244
-
(2006)
Acta Crystallogr B
, vol.62
, pp. 236-244
-
-
Farrugia, L.J.1
Frampton, C.S.2
Howard, J.A.K.3
Mallinson, P.R.4
Peacock, R.D.5
Smith, G.T.6
-
19
-
-
84856175452
-
GrÜneisen e
-
Geiger H, Scheel K (eds) Springer, Berlin
-
GrÜneisen E (1926) Geiger H, Scheel K (eds) Handbuch der Physik, vol 10. Springer, Berlin, pp 1-59
-
(1926)
Handbuch der Physik
, vol.10
, pp. 1-59
-
-
-
20
-
-
33744760133
-
On the mechanism of some first-order enantiotropic solid-state phase transitions: From Simon through Ubbelohde to Mnyukh
-
Herbstein FK (2006) On the mechanism of some first-order enantiotropic solid-state phase transitions: from Simon through Ubbelohde to Mnyukh. Acta Crystallogr B 62:341-383
-
(2006)
Acta Crystallogr B
, vol.62
, pp. 341-383
-
-
Herbstein, F.K.1
-
21
-
-
84987344316
-
Data-processing and structure-factor determination
-
Rees B (1977) Data-processing and structure-factor determination. Isr J Chem 16:154-158
-
(1977)
Isr J Chem
, vol.16
, pp. 154-158
-
-
Rees, B.1
-
22
-
-
84948284508
-
Anisotropic extinction corrections in the Zachariasen approximation
-
Coppens P, Hamilton WC (1970) Anisotropic extinction corrections in the Zachariasen approximation. Acta Crystallogr A 26:71-83
-
(1970)
Acta Crystallogr A
, vol.26
, pp. 71-83
-
-
Coppens, P.1
Hamilton, W.C.2
-
23
-
-
84989991837
-
On contribution of thermal diffuse X-ray scattering to integrated Bragg intensities of single crystals
-
Lucas BW (1969) On contribution of thermal diffuse X-ray scattering to integrated Bragg intensities of single crystals. Acta Crystallogr A 25:627-631
-
(1969)
Acta Crystallogr A
, vol.25
, pp. 627-631
-
-
Lucas, B.W.1
-
24
-
-
85020247262
-
Analysis of charge and spin densities
-
3rd edn.KluwerAcademic Publisher,Dordrecht
-
Coppens P, Su Z, Becker PJ (2003) Analysis of charge and spin densities, International Tables for Crystallography, vol C, 3rd edn.KluwerAcademic Publisher,Dordrecht, pp 713-734
-
(2003)
International Tables for Crystallography
, vol.C
, pp. 713-734
-
-
Coppens, P.1
Su, Z.2
Becker, P.J.3
-
25
-
-
84856151471
-
-
American Institute of Physics 3rd edn McGraw-Hill, New York
-
American Institute of Physics (1972) Handbooks, 3rd edn. McGraw-Hill, New York
-
(1972)
Handbooks
-
-
-
26
-
-
0000569479
-
Thermodynamic and vibrational properties of H2O ice and D2O ice
-
Leadbetter AJ (1965) Thermodynamic and vibrational properties of H2O ice and D2O ice. Proc R Soc London, Ser A 287:403-425
-
(1965)
Proc R Soc London, ser A
, vol.287
, pp. 403-425
-
-
Leadbetter, A.J.1
-
27
-
-
0001292745
-
Electron density distribution in cyanuric acid. 2. Neutron diffraction study at liquid nitrogen temperature and comparison of X-ray and neutron diffraction results
-
Coppens P, Vos A (1971) Electron density distribution in cyanuric acid. 2. Neutron diffraction study at liquid nitrogen temperature and comparison of X-ray and neutron diffraction results. Acta Crystallogr B 27:146-158
-
(1971)
Acta Crystallogr B
, vol.27
, pp. 146-158
-
-
Coppens, P.1
Vos, A.2
-
28
-
-
19744373281
-
Variable-temperature X-ray crystallographic studies: A complementary tool for charge-density investigation of soft (organometallic) bonds
-
DOI 10.1107/S0108767304015582
-
Macchi P, Sironi A (2004) Variable-temperature X-ray crystallographic studies: a complementary tool for charge-density investigation of soft (organometallic) bonds. Acta Crystallogr A 60:502-509 (Pubitemid 40747324)
-
(2004)
Acta Crystallographica Section A: Foundations of Crystallography
, vol.60
, Issue.5
, pp. 502-509
-
-
Macchi, P.1
Sironi, A.2
-
29
-
-
48949118199
-
Estimated H-atom anisotropic displacement parameters: A comparison between different methods and with neutron diffraction results
-
DOI 10.1107/S010876730801341X, PII S010876730801341X
-
Munshi P, Madsen AØ, Spackman MA, Larsen S, Destro R (2008) Estimated H-atom anisotropic displacement parameters: a comparison between different methods and with neutron diffraction results. Acta Crystallogr A 64:465-475 (Pubitemid 352002759)
-
(2008)
Acta Crystallographica Section A: Foundations of Crystallography
, vol.64
, Issue.4
, pp. 465-475
-
-
Munshi, P.1
Madsen, A.O.2
Spackman, M.A.3
Larsen, S.4
Destro, R.5
-
30
-
-
33748869537
-
SHADE web server for estimation of hydrogen anisotropic displacement parameters
-
DOI 10.1107/S0021889806026379
-
Madsen AØ (2006) SHADE web server for estimation of hydrogen anisotropic displacement parameters. J Appl Crystallogr 39:757-758 (Pubitemid 44418976)
-
(2006)
Journal of Applied Crystallography
, vol.39
, Issue.5
, pp. 757-758
-
-
Madsen, A.O.1
-
31
-
-
0034345359
-
Primary radiation damage of protein crystals by an intense synchrotron X-ray beam
-
Teng T-Y, Moffat K (2000) Primary radiation damage of protein crystals by an intense synchrotron X-ray beam. J Synchrotron Radiat 7:313-317
-
(2000)
J Synchrotron Radiat
, vol.7
, pp. 313-317
-
-
Teng, T.-Y.1
Moffat, K.2
-
32
-
-
84944510121
-
Cryocrystallography of biological macromolecules-A generally applicable method
-
Hope H (1988) Cryocrystallography of biological macromolecules-a generally applicable method. Acta Crystallogr B 44:22-26
-
(1988)
Acta Crystallogr B
, vol.44
, pp. 22-26
-
-
Hope, H.1
-
33
-
-
0001266927
-
Cryocrystallography of ribosomal particles
-
Hope H, Frolow F, Von Böhlen K, Makowski I, Kratky C, Halfon Y, Danz H, Webster P, Bartels KS, Wittmann HG, Yonath A (1989) Cryocrystallography of ribosomal particles. Acta Crystallogr B 45:190-199
-
(1989)
Acta Crystallogr B
, vol.45
, pp. 190-199
-
-
Hope, H.1
Frolow, F.2
Von Böhlen, K.3
Makowski, I.4
Kratky, C.5
Halfon, Y.6
Danz, H.7
Webster, P.8
Bartels, K.S.9
Wittmann, H.G.10
Yonath, A.11
-
34
-
-
0027644372
-
Crystal handling at low temperatures
-
Kottke T, Stalke D (1993) Crystal handling at low temperatures. J Appl Crystallogr 26:615-619
-
(1993)
J Appl Crystallogr
, vol.26
, pp. 615-619
-
-
Kottke, T.1
Stalke, D.2
-
35
-
-
0001239312
-
Macromolecular Cryocrystallography: Cooling, Mounting, Storage and Transportation of Crystals
-
Parkin S, Hope H (1998) Macromolecular cryocrystallography: cooling, mounting, storage and transportation of crystals. J Appl Crystallogr 31:945-953 (Pubitemid 128481176)
-
(1998)
Journal of Applied Crystallography
, vol.31
, Issue.6
, pp. 945-953
-
-
Parkin, S.1
Hope, H.2
-
36
-
-
84983681648
-
A nitrogen-gas-stream cryostat for general X-ray-diffraction studies
-
Cosier J, Glazer AM (1986) A nitrogen-gas-stream cryostat for general X-ray-diffraction studies. J Appl Crystallogr 19:105-107
-
(1986)
J Appl Crystallogr
, vol.19
, pp. 105-107
-
-
Cosier, J.1
Glazer, A.M.2
-
37
-
-
0000204802
-
An open-flow helium cryostat for single-crystal X-ray diffraction experiments
-
Hardie MJ, Kirschbaum K, Martin A, Pinkerton AA (1998) An open-flow helium cryostat for single-crystal X-ray diffraction experiments. J Appl Crystallogr 31:815-817 (Pubitemid 128477511)
-
(1998)
Journal of Applied Crystallography
, vol.31
, Issue.5
, pp. 815-817
-
-
Hardie, M.J.1
Kirschbaum, K.2
Martin, A.3
Pinkerton, A.A.4
-
38
-
-
0000013130
-
Use of an open-flow helium cryostat for macromolecular cryocrystallography
-
Hanson BL, Martin A, Harp JM, Parrish DA, Bunick CG, Kirschbaum K, Pinkerton AA, Bunick GJ (1999) Use of an open-flow helium cryostat for macromolecular cryocrystallography. J Appl Crystallogr 32:814-820 (Pubitemid 129699422)
-
(1999)
Journal of Applied Crystallography
, vol.32
, Issue.4
, pp. 814-820
-
-
Hanson, B.L.1
Martin, A.2
Harp, J.M.3
Parrish, D.A.4
Bunick, C.G.5
Kirschbaum, K.6
Pinkerton, A.A.7
Bunick, G.J.8
-
39
-
-
0010840456
-
A novel low-temperature X-ray goniometer with closed-cycle cooling to about 18 K
-
Samson S, Goldish E, Dick CJ (1980) A novel low-temperature X-ray goniometer with closed-cycle cooling to about 18 K. J Appl Crystallogr 13:425-432
-
(1980)
J Appl Crystallogr
, vol.13
, pp. 425-432
-
-
Samson, S.1
Goldish, E.2
Dick, C.J.3
-
40
-
-
0040550443
-
A device for low-temperature crystal reorientation in data collection with the oscillation method
-
Darovsky A, Coppens P (1998) A device for low-temperature crystal reorientation in data collection with the oscillation method. J Appl Crystallogr 31:296-298 (Pubitemid 128764929)
-
(1998)
Journal of Applied Crystallography
, vol.31
, Issue.2
, pp. 296-298
-
-
Darovsky, A.1
Coppens, P.2
-
41
-
-
0026932913
-
Flame-heated gas-flow furnace for single-crystal x-ray diffraction
-
DOI 10.1107/S0021889892004023
-
Peterson RC (1992) A flam-heated gas-flow furnace for single crystal X-ray diffraction. J Appl Crystallogr 25:545-548 (Pubitemid 23614937)
-
(1992)
Journal of Applied Crystallography
, vol.25
, Issue.PART 5
, pp. 545-548
-
-
Peterson, R.C.1
-
42
-
-
84856200621
-
Mounting and setting of specimens for X-ray crystallographic studies
-
Mathematical, physical and chemical tables, 3rd edn Kluwer Academic Publishers, Dordrecht
-
Lindley PF (2004) Mounting and setting of specimens for X-ray crystallographic studies, International Tables for Crystallography Vol. C: Mathematical, physical and chemical tables, 3rd edn. Kluwer Academic Publishers, Dordrecht, pp 162-170
-
(2004)
International Tables for Crystallography
, vol.C
, pp. 162-170
-
-
Lindley, P.F.1
-
44
-
-
0022661626
-
A new radiative single crystal diffractometer microfurnace incorporating MgO as a high temperature cement and internal temperature calibrant
-
Swanson DK, Prewitt CT (1986) A new radiative single crystal diffractometer microfurnace incorporating MgO as a high temperature cement and internal temperature calibrant. J Appl Crystallogr 19:1-6
-
(1986)
J Appl Crystallogr
, vol.19
, pp. 1-6
-
-
Swanson, D.K.1
Prewitt, C.T.2
-
45
-
-
0034987519
-
A new x-ray powder diffractometer working in the 87-1000 K range for phase-transition analyses
-
DOI 10.1107/S0021889801004046
-
Sayetat F, Prat A (2001) A new X-ray powder diffractometer working in the 87±1000 K range for phase-transition analyses. J Appl Crystallogr 34:311-317 (Pubitemid 32506644)
-
(2001)
Journal of Applied Crystallography
, vol.34
, Issue.3
, pp. 311-317
-
-
Sayetat, F.1
Prat, A.2
-
46
-
-
84856148610
-
A variable temperature sample container for low temperature neutron powder diffraction
-
Arzi E, Sándor E (1983) A variable temperature sample container for low temperature neutron powder diffraction. J Appl Crystallogr 16:449-452
-
(1983)
J Appl Crystallogr
, vol.16
, pp. 449-452
-
-
Arzi, E.1
Sándor, E.2
-
47
-
-
0011729030
-
Diffractometre de rayons X à haute temperature (2500 C) sous vide pousse (10-8 Torr)
-
Debrenne PP, Laugier J, Chaudet M (1970) Diffractometre de rayons X à haute temperature (2500 C) sous vide pousse (10-8 Torr). J Appl Crystallogr 3:493-496
-
(1970)
J Appl Crystallogr
, vol.3
, pp. 493-496
-
-
Debrenne, P.P.1
Laugier, J.2
Chaudet, M.3
-
49
-
-
0037106808
-
Multi-frequency heat capacities measured with different types of TMDSC
-
Kamasa P, Merzlyakov M, Pyda M, Pak J, Schick C, Wunderlich B (2002) Multi-frequency heat capacities measured with different types of TMDSC. Thermochimica Acta 392-393:195-207
-
(2002)
Thermochimica Acta
, vol.392-393
, pp. 195-207
-
-
Kamasa, P.1
Merzlyakov, M.2
Pyda, M.3
Pak, J.4
Schick, C.5
Wunderlich, B.6
-
52
-
-
33744494852
-
Three-dimensional birefringence imaging with a microscope tilting-stage. I. Uniaxial crystals
-
DOI 10.1107/S0021889806007758
-
Pajdzik LA, Glazer AM (2006) Three-dimensional birefringence imaging with amicroscope tilting-stage. I. Uniaxial crystals. J Appl Crystallogr 39:326-337 (Pubitemid 43806283)
-
(2006)
Journal of Applied Crystallography
, vol.39
, Issue.3
, pp. 326-337
-
-
Pajdzik, L.A.1
Glazer, A.M.2
-
53
-
-
33751219891
-
Three-dimensional birefringence imaging with a microscope tilting stage. II. Biaxial crystals
-
DOI 10.1107/S002188980604009X
-
Pajdzik LA, Glazer AM (2006) Three-dimensional birefringence imaging with a microscope tilting stage. II. Biaxial crystals. J Appl Crystallogr 39:856-870 (Pubitemid 44786284)
-
(2006)
Journal of Applied Crystallography
, vol.39
, Issue.6
, pp. 856-870
-
-
Pajdzik, L.A.1
Glazer, A.M.2
-
54
-
-
0035823850
-
Invisible but common motion in organic crystals: A pedal motion in stilbenes and azobenzenes
-
DOI 10.1021/ja011197d
-
Harada J, Ogawa K (2001) Invisible but common motion in organic crystals: a pedal motion in stilbenes and azobenzenes. J Am Chem Soc 123:10884-10888 (Pubitemid 33042000)
-
(2001)
Journal of the American Chemical Society
, vol.123
, Issue.44
, pp. 10884-10888
-
-
Harada, J.1
Ogawa, K.2
-
55
-
-
20944434880
-
Cryo-cooling in macromolecular crystallography: Advantages, disadvantages and optimization
-
DOI 10.1017/S0033583504004007
-
Juers DH, Matthews BW (2004) Cryo-cooling in macromolecular crystallography: advantages, disadvantages and optimization. Q Rev Biophys 37:105-119 (Pubitemid 40867963)
-
(2004)
Quarterly Reviews of Biophysics
, vol.37
, Issue.2
, pp. 105-119
-
-
Juers, D.H.1
Matthews, B.W.2
-
56
-
-
0036657533
-
Radiation damage of protein crystals at cryogenic temperatures between 40 K and 150 K
-
Teng T-Y, Moffat K (2002) Radiation damage of protein crystals at cryogenic temperatures between 40 K and 150 K. J Synchrotron Radiat 9:198-201
-
(2002)
J Synchrotron Radiat
, vol.9
, pp. 198-201
-
-
Teng, T.-Y.1
Moffat, K.2
-
57
-
-
0000888804
-
Selective binding and removal of guests in a microporous metal-organic framework
-
Yaghi OM, Li GM, Li HL (1995) Selective binding and removal of guests in a microporous metal-organic framework. Nature 378:703-706 (Pubitemid 126647273)
-
(1995)
Nature
, vol.378
, Issue.6558
, pp. 703-706
-
-
Yaghi, O.M.1
Li, G.2
Li, H.3
-
58
-
-
24044503751
-
Chemistry: Gas adsorption sites in a large-pore metal-organic framework
-
DOI 10.1126/science.1113247
-
Rowsell JLC, Spencer EC, Eckert J, Howard JAK, Yaghi OM (2004) Gas adsorption sites in a large-pore metal-organic framework. Science 309:1350-1354 (Pubitemid 41213354)
-
(2005)
Science
, vol.309
, Issue.5739
, pp. 1350-1354
-
-
Rowsell, J.L.C.1
Spencer, E.C.2
Eckert, J.3
Howard, J.A.K.4
Yaghi, O.M.5
-
59
-
-
0012006750
-
Structural and spectroscopic study of the dihydrogen bond in an imine triosmium complex
-
DOI 10.1021/om010650r
-
Aime S, Diana E, Gobetto R, Milanesio M, Valls E, Viterbo D (2002) Structural and spectroscopic study of the dihydrogen bond in an imine triosmiumcomplex. Organometallics 21:50-57 (Pubitemid 41490412)
-
(2002)
Organometallics
, vol.21
, Issue.1
, pp. 50-57
-
-
Aime, S.1
Diana, E.2
Gobetto, R.3
Milanesio, M.4
Valls, E.5
Viterbo, D.6
-
61
-
-
0034604724
-
Interanionic O - H···O interactions: The charge density point of view
-
DOI 10.1002/1521-3773(20000804)39:15< 2719::AID-ANIE2719>3.0.CO;2-8
-
Macchi P, Iversen BB, Sironi A, Chackoumakos BC, Larsen FK (2000) Interanionic O-H-O interactions: the charge density point of view. Angew Chem 39:2719-2722 (Pubitemid 30629196)
-
(2000)
Angewandte Chemie - International Edition
, vol.39
, Issue.15
, pp. 2719-2722
-
-
Macchi, P.1
Iversen, B.B.2
Sironi, A.3
Chakoumakos, B.C.4
Larsen, F.K.5
-
62
-
-
0001268879
-
X-ray dispersal
-
Debey P (1915) X-ray dispersal. Ann Phys 48:809-823
-
(1915)
Ann Phys
, vol.48
, pp. 809-823
-
-
Debey, P.1
-
63
-
-
0000919267
-
Comparative X-ray and neutron diffraction study of bonding effects in s-triazine
-
(1067)
-
Coppens P (1067) Comparative X-ray and neutron diffraction study of bonding effects in s-triazine. Science 158:1577-1579
-
Science
, vol.158
, pp. 1577-1579
-
-
Coppens, P.1
-
65
-
-
0000274918
-
Generalized X-ray scattering factors in diatomic molecules
-
Stewart RF, Bentlety J, Goodman B (1975) Generalized X-ray scattering factors in diatomic molecules. J Chem Phys 63:3786-3793
-
(1975)
J Chem Phys
, vol.63
, pp. 3786-3793
-
-
Stewart, R.F.1
Bentlety, J.2
Goodman, B.3
-
66
-
-
0001193280
-
Charge density deformation models
-
Kurki-Suonio K (1977) Charge density deformation models. Isr J Chem 16:115
-
(1977)
Isr J Chem
, vol.16
, pp. 115
-
-
Kurki-Suonio, K.1
-
67
-
-
84931270541
-
Electron population analysis of accurate diffraction data. 6. Testing aspherical atom refinements on small-molecule data sets
-
Hansen NK, Coppens P (1978) Electron population analysis of accurate diffraction data. 6. Testing aspherical atom refinements on small-molecule data sets. Acta Crystallogr A 34:909-921
-
(1978)
Acta Crystallogr A
, vol.34
, pp. 909-921
-
-
Hansen, N.K.1
Coppens, P.2
-
68
-
-
34347226302
-
-
University of Buffalo, USA
-
Volkov A, Macchi P, Farrugia LJ, Gatti C, Mallinson P, Richter T, Koritsanszky T (2006) XD2006-a computer program package for multipole refinement, topological analysis of charge densities and evaluation of intermolecular energies from experimental and theoretical structure factors. University of Buffalo, USA
-
(2006)
XD2006-A Computer Program Package for Multipole Refinement, Topological Analysis of Charge Densities and Evaluation of Intermolecular Energies from Experimental and Theoretical Structure Factors
-
-
Volkov, A.1
MacChi, P.2
Farrugia, L.J.3
Gatti, C.4
Mallinson, P.5
Richter, T.6
Koritsanszky, T.7
-
70
-
-
0003954570
-
-
Carnegie Mellon University, Pittsburgh, PA, USA, and University of Copenhagen, Denmark
-
Stewart RF, Spackman MA, Flensburg C (2000) VALRAY-user's manual, 2.1 ed. Carnegie Mellon University, Pittsburgh, PA, USA, and University of Copenhagen, Denmark
-
(2000)
VALRAY-user's Manual, 2.1 Ed
-
-
Stewart, R.F.1
Spackman, M.A.2
Flensburg, C.3
-
71
-
-
0012723629
-
-
Institute of Physics, Praha
-
Petricek V, Dusek M, Palatinus L (2006) JANA2006, Structure Determination Software Programs, Institute of Physics, Praha
-
(2006)
JANA2006, Structure Determination Software Programs
-
-
Petricek, V.1
Dusek, M.2
Palatinus, L.3
-
73
-
-
0035587311
-
Complementary aspects of charge and momentum densities for the study of the chemical bond
-
Becker P, Gillet J-M, Cortona P, Ragot S (2001) Complementary aspects of charge and momentum densities for the study of the chemical bond. Theor Chem Acc 105:284-291
-
(2001)
Theor Chem Acc
, vol.105
, pp. 284-291
-
-
Becker, P.1
Gillet, J.-M.2
Cortona, P.3
Ragot, S.4
-
76
-
-
19744378212
-
Electron localization functions obtained from X-ray constrained Hartree-Fock wavefunctions for molecular crystals of ammonia, urea and alloxan
-
DOI 10.1107/S0108767303029350
-
Jayatilaka D, Grimwood DJ (2004) Electron localization functions obtained from X-ray constrained Hartree-Fock wavefunctions for molecular crystals of ammonia, urea and alloxan. Acta Crystallogr A 60:111-119 (Pubitemid 40747282)
-
(2004)
Acta Crystallographica Section A: Foundations of Crystallography
, vol.60
, Issue.2
, pp. 111-119
-
-
Jayatilaka, D.1
Grimwood, D.2
-
77
-
-
47349123677
-
X-ray atomic orbital analysis. I. Quantum-mechanical and crystallographic framework of the method
-
DOI 10.1107/S0108767308011227, PII S0108767308011227
-
Tanaka K, Makita R, Funahashi S, Komori T, Win Z (2008) X-ray atomic orbital analysis. I. Quantum mechanical and crystallographic framework of the method. Acta Crystallogr B 64:437-449 (Pubitemid 351999992)
-
(2008)
Acta Crystallographica Section A: Foundations of Crystallography
, vol.64
, Issue.4
, pp. 437-449
-
-
Tanaka, K.1
Makita, R.2
Funahashi, S.3
Komori, T.4
Zaw Win5
-
79
-
-
0000801147
-
Generalized relations between d-orbital occupancies of transition-metal atoms and electron-density multipole population parameters from X-ray diffraction data
-
Holladay A, Leung PC, Coppens P (1983) Generalized relations between d-orbital occupancies of transition-metal atoms and electron-density multipole population parameters from X-ray diffraction data. Acta Crystallogr A 39:377-387
-
(1983)
Acta Crystallogr A
, vol.39
, pp. 377-387
-
-
Holladay, A.1
Leung, P.C.2
Coppens, P.3
-
81
-
-
9344228417
-
Atomic screening constants from SCF functions
-
Clementi E, Raimondi DL (1963) Atomic screening constants from SCF functions. J Chem Phys 38:2686-2689
-
(1963)
J Chem Phys
, vol.38
, pp. 2686-2689
-
-
Clementi, E.1
Raimondi, D.L.2
-
82
-
-
0019895682
-
Electron density images from imperfect data by iterative entropy maximization
-
Collins DM (1982) Electron density images from imperfect data by iterative entropy maximization. Nature 298:49-51 (Pubitemid 12288142)
-
(1982)
Nature
, vol.298
, Issue.5869
, pp. 49-51
-
-
Collins, D.M.1
-
84
-
-
0000226494
-
Accurate charge-density studies as an extension of Bayesian crystal structure determination
-
Roversi P, Irwin JJ, Bricogne G (1998) Accurate charge-density studies as an extension of Bayesian crystal structure determination. Acta Crystallogr A 54:971-996
-
(1998)
Acta Crystallogr A
, vol.54
, pp. 971-996
-
-
Roversi, P.1
Irwin, J.J.2
Bricogne, G.3
-
86
-
-
72249119257
-
The maximum entropy method in accurate charge-density studies
-
van Smaalen S, Netzel J (2009) The maximum entropy method in accurate charge-density studies. Physica Scripta 79:048304
-
(2009)
Physica Scripta
, vol.79
, pp. 048304
-
-
Van Smaalen, S.1
Netzel, J.2
-
87
-
-
84980074545
-
Addition of higher cumulants to the crystallographic structure-factor equation: A generalized treatment for thermal-motion effects
-
Johnson CK (1969) Addition of higher cumulants to the crystallographic structure-factor equation: a generalized treatment for thermal-motion effects. Acta Crystallogr A 25:187-194
-
(1969)
Acta Crystallogr A
, vol.25
, pp. 187-194
-
-
Johnson, C.K.1
-
88
-
-
0039609279
-
The Gram-Charlier and multipole expansions in accurate X-ray diffraction studies: Can they be distinguished?
-
Mallinson PR, Koritsanszky T, Elkaim E, Li N, Coppens P (1988) The Gram-Charlier and multipole expansions in accurate X-ray diffraction studies: can they be distinguished? Acta Crystallogr A 44:336-343
-
(1988)
Acta Crystallogr A
, vol.44
, pp. 336-343
-
-
Mallinson, P.R.1
Koritsanszky, T.2
Elkaim, E.3
Li, N.4
Coppens, P.5
-
89
-
-
0030173146
-
Charge density in crystalline citrinin from X-ray diffraction at 19 K
-
Roversi P, Barzaghi M, Merati F, Destro R (1996) Charge density in crystalline citrinin from X-ray diffraction at 19 K. Can J Chem 74:1145-1161 (Pubitemid 126423930)
-
(1996)
Canadian Journal of Chemistry
, vol.74
, Issue.6
, pp. 1145-1161
-
-
Roversi, P.1
Barzaghi, M.2
Merati, F.3
Destro, R.4
-
92
-
-
77952857028
-
X-ray atomic orbital analysis of 4f and 5d electron configuration of SmB6 at 100, 165, 230, 298 K
-
Funahashi S, Tanaka K, Iga F (2010) X-ray atomic orbital analysis of 4f and 5d electron configuration of SmB6 at 100, 165, 230, 298 K. Acta Crystallogr B 66:292-306
-
(2010)
Acta Crystallogr B
, vol.66
, pp. 292-306
-
-
Funahashi, S.1
Tanaka, K.2
Iga, F.3
-
93
-
-
0004039398
-
X-ray charge densities and chemical bonding
-
International Union of Crystallography, Oxford University Press, Oxford
-
Coppens P (1997) X-ray charge densities and chemical bonding. IUCr texts on crystallography 4. International Union of Crystallography, Oxford University Press, Oxford
-
(1997)
IUCr Texts on Crystallography 4
-
-
Coppens, P.1
-
100
-
-
0003549216
-
-
World Scientific Pub. Co Inc., Singapore
-
Toledano J-C,Toledano P (1997) The Landau theory of phase transitions: application to structural, incommensurate, magnetic, and liquid crystal systems. World Scientific Pub. Co Inc., Singapore
-
(1997)
The Landau Theory of Phase Transitions: Application to Structural, Incommensurate, Magnetic, and Liquid Crystal Systems
-
-
Toledano, J.-C.1
Toledano, P.2
-
101
-
-
36549082448
-
The crystal structure of methyl paraben at 118 K does not represent a new polymorph
-
Threlfall TL, Gelbrich T (2007) The crystal structure of methyl paraben at 118 K does not represent a new polymorph. Cryst Growth Des 7:2297
-
(2007)
Cryst Growth des
, vol.7
, pp. 2297
-
-
Threlfall, T.L.1
Gelbrich, T.2
-
102
-
-
15744392959
-
Toward understanding mobile proton behavior from first principles calculation: The short hydrogen bond in crystalline urea-phosphoric acid
-
DOI 10.1021/ja043327z
-
Morrison CA, Siddick MM, Camp PJ, Wilson CC (2005) Toward understanding mobile proton behavior from first principles calculation: the short hydrogen bond in crystalline ureaphosphoric acid. J Am Chem Soc 127:4042-4048 (Pubitemid 40411445)
-
(2005)
Journal of the American Chemical Society
, vol.127
, Issue.11
, pp. 4042-4048
-
-
Morrison, C.A.1
Siddick, M.M.2
Camp, P.J.3
Wilson, C.C.4
-
103
-
-
65549105454
-
Hydrogen migration in oxalic acid di-hydrate at high pressure?
-
Casati N, Macchi P, Sironi A (2009) Hydrogen migration in oxalic acid di-hydrate at high pressure? Chem Commun 2679-2681
-
(2009)
Chem Commun
, pp. 2679-2681
-
-
Casati, N.1
MacChi, P.2
Sironi, A.3
-
104
-
-
77956071342
-
The α and β forms of oxalic acid di-hydrate at high pressure: A theoretical simulation and a neutron diffraction study
-
Macchi P, Casati N, Marshall WG, Sironi A (2010) The α and β forms of oxalic acid di-hydrate at high pressure: a theoretical simulation and a neutron diffraction study. CrystEngComm 12:2596-2603
-
(2010)
CrystEngComm
, vol.12
, pp. 2596-2603
-
-
MacChi, P.1
Casati, N.2
Marshall, W.G.3
Sironi, A.4
-
105
-
-
0000436907
-
Phase changes in the ordinary and extended sense classified according to the corresponding singularities of the thermodynamic potential
-
Ehrenfest P (1933) Phase changes in the ordinary and extended sense classified according to the corresponding singularities of the thermodynamic potential. Proc Acad Sci Amsterdam 36:153-157
-
(1933)
Proc Acad Sci Amsterdam
, vol.36
, pp. 153-157
-
-
Ehrenfest, P.1
-
108
-
-
28744437104
-
2] in the solid state: An X-ray diffraction study at high pressure and low temperature
-
DOI 10.1002/anie.200502241
-
2] in the solid state: an X-ray diffraction study at high pressure and low temperature. Angew Chem 44:7736-7739 (Pubitemid 41759539)
-
(2005)
Angewandte Chemie - International Edition
, vol.44
, Issue.47
, pp. 7736-7739
-
-
Casati, N.1
Macchi, P.2
Sironi, A.3
-
109
-
-
0034363907
-
Spin crossover phenomena in Fe(II) complexes
-
GÜtlich P, Garcia Y, Goodwin HA (2000) Spin crossover phenomena in Fe(II) complexes. Chem Soc Rev 29:419-427
-
(2000)
Chem Soc Rev
, vol.29
, pp. 419-427
-
-
Gütlich, P.1
Garcia, Y.2
Goodwin, H.A.3
-
110
-
-
78649515424
-
Observation of unusual temperature-dependent stripes in LiTaO3 and LiTaxNb1-xO3 crystals with near-zero birefringence
-
Glazer AM, Zhang N, Bartasyte A, Keeble DS, Huband S, Thomas PA (2010) Observation of unusual temperature-dependent stripes in LiTaO3 and LiTaxNb1-xO3 crystals with near-zero birefringence. J Appl Crystallogr 43:1305-1313
-
(2010)
J Appl Crystallogr
, vol.43
, pp. 1305-1313
-
-
Glazer, A.M.1
Zhang, N.2
Bartasyte, A.3
Keeble, D.S.4
Huband, S.5
Thomas, P.A.6
-
111
-
-
0034494194
-
Dynamics of molecules in crystals from multi-temperature anisotropic displacement parameters. I. Theory
-
BÜrgi H-B, Capelli SC (2000) Dynamics of molecules in crystals from multi-temperature anisotropic displacement parameters. I. Theory. Acta Crystallogr A 56:403-412
-
(2000)
Acta Crystallogr A
, vol.56
, pp. 403-412
-
-
Bürgi, H.-B.1
Capelli, S.C.2
-
112
-
-
33750666386
-
The entropy of crystalline naphthalene
-
Cruickshank DWJ (1956) The entropy of crystalline naphthalene. Acta Crystallogr 9:1010-1011
-
(1956)
Acta Crystallogr
, vol.9
, pp. 1010-1011
-
-
Cruickshank, D.W.J.1
-
113
-
-
84856160959
-
Computational studies of crystal structure and bonding
-
DOI: 10.1007/128-2011-131
-
Gavezzotti A (2011) Computational studies of crystal structure and bonding. Top Curr Chem, DOI: 10.1007/128-2011-131
-
(2011)
Top Curr Chem
-
-
Gavezzotti, A.1
-
114
-
-
84856176729
-
High-pressure crystallography
-
DOI: 10.1007/128-2011-132
-
McMahon MI (2011) High-pressure crystallography. Top Curr Chem, DOI: 10.1007/128-2011-132
-
(2011)
Top Curr Chem
-
-
McMahon, M.I.1
|