-
3
-
-
84979118562
-
-
c) R. Wierl, Ann. Phys. 1931, 8, 521-564.
-
(1931)
Ann. Phys.
, vol.8
, pp. 521-564
-
-
Wierl, R.1
-
6
-
-
0033796830
-
-
c) For a comprehensive historical survey see, for example, J. Karle, Struct. Chem. 2000, 11, 91-93.
-
(2000)
Struct. Chem.
, vol.11
, pp. 91-93
-
-
Karle, J.1
-
7
-
-
24344445290
-
-
and references therein
-
G. S. McGrady, A. Haaland, H. P. Verne, H. V. Volden, A. J. Downs, D. Shorokhov, W. Scherer, G. Eickerling, Chem. Eur. J. 2005, 11, 4921-4934 and references therein.
-
(2005)
Chem. Eur. J.
, vol.11
, pp. 4921-4934
-
-
McGrady, G.S.1
Haaland, A.2
Verne, H.P.3
Volden, H.V.4
Downs, A.J.5
Shorokhov, D.6
Scherer, W.7
Eickerling, G.8
-
11
-
-
2342632123
-
-
(Ed.: K. Kuchitsu), Springer, Berlin, Heidelberg
-
Structure Data of Free Polyatomic Molecules in Landolt-Börnstein Numerical Data and Functional Relationships in Science and Technology, Group II: Molecules and Radicals, Vol. 25 (Ed.: K. Kuchitsu), Springer, Berlin, Heidelberg, 1998.
-
(1998)
Structure Data of Free Polyatomic Molecules in Landolt-Börnstein Numerical Data and Functional Relationships in Science and Technology, Group II: Molecules and Radicals
, vol.25
-
-
-
12
-
-
0343324593
-
-
(Ed.: T. Frängsmyr), Almqvist and Wiksell, Stockholm
-
For a recent overview discussion see: a) A. H. Zewail in Les Prix Nobel: The Nobel Prizes 1999 (Ed.: T. Frängsmyr), Almqvist and Wiksell, Stockholm, 2000;
-
(2000)
Les Prix Nobel: The Nobel Prizes 1999
-
-
Zewail, A.H.1
-
17
-
-
0001075661
-
-
c) J. C. Williamson, M. Dantus, S. B. Kim, A. H. Zewail, Chem. Phys. Lett. 1992, 196, 529-534;
-
(1992)
Chem. Phys. Lett.
, vol.196
, pp. 529-534
-
-
Williamson, J.C.1
Dantus, M.2
Kim, S.B.3
Zewail, A.H.4
-
20
-
-
33751157643
-
-
f) M. Dantus, S. B. Kim, J. C. Williamson, A. H. Zewail, J. Phys. Chem. 1994, 98, 2782-2796;
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2782-2796
-
-
Dantus, M.1
Kim, S.B.2
Williamson, J.C.3
Zewail, A.H.4
-
21
-
-
0030896894
-
-
g) J. C. Williamson, J. Cao, H. Ihee, H. Frey, A. H. Zewail, Nature 1997, 386, 159-162;
-
(1997)
Nature
, vol.386
, pp. 159-162
-
-
Williamson, J.C.1
Cao, J.2
Ihee, H.3
Frey, H.4
Zewail, A.H.5
-
22
-
-
0031578981
-
-
h) H. Ihee, J. Cao, A. H. Zewail, Chem. Phys. Lett. 1997, 281, 10-19;
-
(1997)
Chem. Phys. Lett.
, vol.281
, pp. 10-19
-
-
Ihee, H.1
Cao, J.2
Zewail, A.H.3
-
23
-
-
0032568779
-
-
i) J. Cao, H. Ihee, A. H. Zewail, Chem. Phys. Lett. 1998, 290, 1-8;
-
(1998)
Chem. Phys. Lett.
, vol.290
, pp. 1-8
-
-
Cao, J.1
Ihee, H.2
Zewail, A.H.3
-
24
-
-
0033582224
-
-
j) J. Cao, H. Ihee, A. H. Zewail, Proc. Natl. Acad. Sci. USA 1999, 96, 338-342;
-
(1999)
Proc. Natl. Acad. Sci. USA
, vol.96
, pp. 338-342
-
-
Cao, J.1
Ihee, H.2
Zewail, A.H.3
-
25
-
-
0035910396
-
-
k) H. Ihee, V. A. Lobastov, U. M. Gomez, B. M. Goodson, R. Srinivasan, C.-Y. Ruan, A. H. Zewail, Science 2001, 291, 458-462;
-
(2001)
Science
, vol.291
, pp. 458-462
-
-
Ihee, H.1
Lobastov, V.A.2
Gomez, U.M.3
Goodson, B.M.4
Srinivasan, R.5
Ruan, C.-Y.6
Zewail, A.H.7
-
26
-
-
0035849257
-
-
l) H. Ihee, J. Kua, W. A. Goddard III, A. H. Zewail, J. Phys. Chem. A 2001, 105, 3623-3632;
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 3623-3632
-
-
Ihee, H.1
Kua, J.2
Goddard III, W.A.3
Zewail, A.H.4
-
27
-
-
0035924856
-
-
m) V. A. Lobastov, R. Srinivasan, B. M. Goodson, C.-Y. Ruan, J. S. Feenstra, A. H. Zewail, J. Phys. Chem. A 2001, 105, 11 159-11 164;
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 11159-11164
-
-
Lobastov, V.A.1
Srinivasan, R.2
Goodson, B.M.3
Ruan, C.-Y.4
Feenstra, J.S.5
Zewail, A.H.6
-
28
-
-
0037176855
-
-
n) H. Ihee, J. S. Feenstra, J. Cao, A. H. Zewail, Chem. Phys. Lett. 2002, 353, 325-334;
-
(2002)
Chem. Phys. Lett.
, vol.353
, pp. 325-334
-
-
Ihee, H.1
Feenstra, J.S.2
Cao, J.3
Zewail, A.H.4
-
29
-
-
0037172137
-
-
o) H. Ihee, B. M. Goodson, R. Srinivasan, V. A. Lobastov, A. H. Zewail, J. Phys. Chem. A 2002, 106, 4087-4103;
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 4087-4103
-
-
Ihee, H.1
Goodson, B.M.2
Srinivasan, R.3
Lobastov, V.A.4
Zewail, A.H.5
-
30
-
-
0037633248
-
-
p) B. M. Goodson, C.-Y. Ruan, V. A. Lobastov, R. Srinivasan, A. H. Zewail, Chem. Phys. Lett. 2003, 374, 417-424;
-
(2003)
Chem. Phys. Lett.
, vol.374
, pp. 417-424
-
-
Goodson, B.M.1
Ruan, C.-Y.2
Lobastov, V.A.3
Srinivasan, R.4
Zewail, A.H.5
-
31
-
-
1542345341
-
-
q) R. Srinivasan, J. S. Feenstra, S. T. Park, S. J. Xu, A. H. Zewail, J. Am. Chem. Soc. 2004, 126, 2266-2267;
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 2266-2267
-
-
Srinivasan, R.1
Feenstra, J.S.2
Park, S.T.3
Xu, S.J.4
Zewail, A.H.5
-
32
-
-
4344641741
-
-
r) S. J. Xu, S. T. Park, J. S. Feenstra, R. Srinivasan, A. H. Zewail, J. Phys. Chem. A 2004, 108, 6650-6655;
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6650-6655
-
-
Xu, S.J.1
Park, S.T.2
Feenstra, J.S.3
Srinivasan, R.4
Zewail, A.H.5
-
33
-
-
27844512924
-
-
Ph.D. Thesis, California Institute of Technology, Pasadena, CA (USA) 1998 (see also refs. [6], [10], [28], [42], and [43])
-
s) J. C. Williamson, Ph.D. Thesis, California Institute of Technology, Pasadena, CA (USA) 1998 (see also refs. [6], [10], [28], [42], and [43]).
-
-
-
Williamson, J.C.1
-
34
-
-
1842581809
-
-
a) C.-Y. Ruan, V. A. Lobastov, F. Vigliotti, S. Chen, A. H. Zewail, Science 2004, 304, 80-84;
-
(2004)
Science
, vol.304
, pp. 80-84
-
-
Ruan, C.-Y.1
Lobastov, V.A.2
Vigliotti, F.3
Chen, S.4
Zewail, A.H.5
-
35
-
-
27844531615
-
-
b) F. Vigliotti, S. Chen, C.-Y. Ruan, V. A. Lobastov, A. H. Zewail, Angew. Chem. 2004, 116, 2639-2642;
-
(2004)
Angew. Chem.
, vol.116
, pp. 2639-2642
-
-
Vigliotti, F.1
Chen, S.2
Ruan, C.-Y.3
Lobastov, V.A.4
Zewail, A.H.5
-
36
-
-
4544236626
-
-
Angew. Chem. Int. Ed. 2004, 43, 2705-2709;
-
(2004)
Angew. Chem. Int. Ed.
, vol.43
, pp. 2705-2709
-
-
-
37
-
-
5644264823
-
-
c) C.-Y. Ruan, D.-S. Yang, A. H. Zewail, J. Am. Chem. Soc. 2004, 126, 12 797-12 799;
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 12797-12799
-
-
Ruan, C.-Y.1
Yang, D.-S.2
Zewail, A.H.3
-
38
-
-
0842321042
-
-
d) C.-Y. Ruan, F. Vigliotti, V. A. Lobastov, S. Chen, A. H. Zewail, Proc. Natl. Acad. Sci. USA 2004, 101, 1123-1128.
-
(2004)
Proc. Natl. Acad. Sci. USA
, vol.101
, pp. 1123-1128
-
-
Ruan, C.-Y.1
Vigliotti, F.2
Lobastov, V.A.3
Chen, S.4
Zewail, A.H.5
-
39
-
-
18844444493
-
-
V. A. Lobastov, R. Srinivasan, A. H. Zewail, Proc. Natl. Acad. Sci. USA 2005, 102, 7069-7073.
-
(2005)
Proc. Natl. Acad. Sci. USA
, vol.102
, pp. 7069-7073
-
-
Lobastov, V.A.1
Srinivasan, R.2
Zewail, A.H.3
-
40
-
-
0042305023
-
-
For a detailed description of UED-3 see: R. Srinivasan, V. A. Lobastov, C.-Y. Ruan, A. H. Zewail, Helv. Chim. Acta 2003, 86, 1763-1838.
-
(2003)
Helv. Chim. Acta
, vol.86
, pp. 1763-1838
-
-
Lobastov, V.A.1
Ruan, C.-Y.2
Zewail, A.H.3
-
41
-
-
27844591731
-
-
(Eds.: F. Krausz, G. Korn, P. Corkum, I. Walmsley), Springer, New York
-
V. A. Lobastov, R. Srinivasan, F. Vigliotti, C.-Y. Ruan, J. S. Feenstra, S. Chen, S. T. Park, S. Xu, A. H. Zewail in Ultrafast Optics IV, Springer Series in Optical Sciences, Vol. 95 (Eds.: F. Krausz, G. Korn, P. Corkum, I. Walmsley), Springer, New York, 2004, pp. 419-429.
-
(2004)
Ultrafast Optics IV, Springer Series in Optical Sciences
, vol.95
, pp. 419-429
-
-
Lobastov, V.A.1
Srinivasan, R.2
Vigliotti, F.3
Ruan, C.-Y.4
Feenstra, J.S.5
Chen, S.6
Park, S.T.7
Xu, S.8
Zewail, A.H.9
-
46
-
-
84861287717
-
-
Habilitationsschrift, Eberhard-Karls-Universität Tübingen (Germany), see also ref. [7s]
-
e) H.-G. Mack, Strukturen und Konformationen freier Moleküle, Habilitationsschrift, Eberhard-Karls-Universität Tübingen (Germany), 1994 (see also ref. [7s]).
-
(1994)
Strukturen und Konformationen Freier Moleküle
-
-
Mack, H.-G.1
-
47
-
-
27844436603
-
-
note
-
For our current setup, the time resolution is mostly determined by the electron pulse width. With an electron flux of the order of microam-peres, internuclear separations can usually be determined with a precision of 0.001 Å. To date, the accuracy of UED has been less than that of GED because of the demand on time resolution. The electron flux must be kept very low (on the order of hundreds of femtoamperes) to maintain the ultrafast temporal resolution. Improvements in electron gun design are currently underway.
-
-
-
-
48
-
-
0042106970
-
-
(Ed.: A. J. C. Wilson), Kluwer, Dordrecht
-
A. W. Ross, M. Fink, R. L. Hilderbrandt in International Tables for Crystallography, Vol. C, Mathematical, Physical and Chemical Tables (Ed.: A. J. C. Wilson), Kluwer, Dordrecht, 1992.
-
(1992)
International Tables for Crystallography, Vol. C, Mathematical, Physical and Chemical Tables
, vol.100
-
-
Ross, A.W.1
Fink, M.2
Hilderbrandt, R.L.3
-
49
-
-
0000611795
-
-
Vibrational displacements of the atoms are normally treated as small and harmonic. At a higher level of sophistication, small anharmonicity corrections and centrifugal distortions are included. See, for example, a) L. S. Bartell, J. Chem. Phys. 1955, 23, 1219-1222;
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 1219-1222
-
-
Bartell, L.S.1
-
52
-
-
22944437523
-
-
d) M. Toyama, T. Oka, Y. Morino, J. Mol. Spectrosc. 1964, 13, 193-213;
-
(1964)
J. Mol. Spectrosc.
, vol.13
, pp. 193-213
-
-
Toyama, M.1
Oka, T.2
Morino, Y.3
-
54
-
-
27844503534
-
-
Internuclear distances and RMS vibrational amplitudes are typically obtained from quantum chemical calculations followed by normal coordinate analysis of the resulting Cartesian force field. See, for example: refs. [45], [31]. Alternatively, RMS vibrational amplitudes may be obtained from spectroscopic data, see V. S. Mastryukov, O. V. Dorofeeva, J. Struct. Chem. 1979, 20, 504-508, or estimated using empirical equations (ref. [34]).
-
(1979)
J. Struct. Chem.
, vol.20
, pp. 504-508
-
-
Mastryukov, V.S.1
Dorofeeva, O.V.2
-
55
-
-
27844469696
-
-
note
-
We note that the experimental molecular intensity is dominated by the scattering terms involving heavier atoms (ref. [12]).
-
-
-
-
57
-
-
16844370414
-
-
Conversion of a two-dimensional UED pattern into a one-dimensional scattering intensity curve is similar to the radial averaging of intensity data introduced in 1947 by I. and J. Karle for a standard GED experiment: I. L. Karle, D. Hoober, J. Karle, J. Chem. Phys. 1947, 15, 765.
-
(1947)
J. Chem. Phys.
, vol.15
, pp. 765
-
-
Karle, I.L.1
Hoober, D.2
Karle, J.3
-
58
-
-
85076868441
-
-
note
-
ref;s), and free from any background. However, a small residual background is usually detected in UED experiments (ref. [7h]).
-
-
-
-
60
-
-
0007661168
-
-
b) M. Iwasaki, F. N. Fritsch, K. Hedberg, Acta Crystallogr. 1964, 17, 533-537;
-
(1964)
Acta Crystallogr.
, vol.17
, pp. 533-537
-
-
Iwasaki, M.1
Fritsch, F.N.2
Hedberg, K.3
-
61
-
-
0004012728
-
-
(Eds.: A. Weissberger, B. W. Rossiter), Wiley, New York
-
c) L. S. Bartell in Physical Methods of Chemistry (Eds.: A. Weissberger, B. W. Rossiter), Wiley, New York, 1972.
-
(1972)
Physical Methods of Chemistry
-
-
Bartell, L.S.1
-
62
-
-
27844489559
-
-
see Chapter 6 in ref. [12d]
-
A relatively low pressure of a gas-phase sample typical of a GED experiment justifies such an approximation. For a typical vapor pressure and other experimental details, see Chapter 6 in ref. [12d].
-
-
-
-
63
-
-
0012726064
-
-
A textbook example of the latter effect is the so-called Bastiansen-Morino shrinkage. a) A. Almenningen, O. Bastiansen, T. Munthe-Kaas, Acta Chem. Scand. 1956, 10, 261-264;
-
(1956)
Acta Chem. Scand.
, vol.10
, pp. 261-264
-
-
Almenningen, A.1
Bastiansen, O.2
Munthe-Kaas, T.3
-
66
-
-
27844472730
-
-
note
-
[25] have been successfully applied to overcome the difficulty.
-
-
-
-
67
-
-
0343529711
-
-
A. A. Ischenko, V. A. Lobastov, L. Schäfer, J. D. Ewbank, J. Mol. Struct. 1996, 377, 261-269.
-
(1996)
J. Mol. Struct.
, vol.377
, pp. 261-269
-
-
Ischenko, A.A.1
Lobastov, V.A.2
Schäfer, L.3
Ewbank, J.D.4
-
68
-
-
0001544390
-
-
a) A. A. Ischenko, L. Schäfer, J. Y. Luo, J. D. Ewbank, J. Phys. Chem. 1994, 98, 8673-8678;
-
(1994)
J. D. Ewbank, J. Phys. Chem.
, vol.98
, pp. 8673-8678
-
-
Ischenko, A.A.1
Schäfer, L.2
Luo, J.Y.3
-
69
-
-
0011638741
-
-
b) A. A. Ischenko, J. D. Ewbank, L. Schäfer, J. Phys. Chem. 1995, 99, 15 790-15 797.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 15790-15797
-
-
Ischenko, A.A.1
Ewbank, J.D.2
Schäfer, L.3
-
71
-
-
0035912844
-
-
C.-Y. Ruan, V. A. Lobastov, R. Srinivasan, B. M. Goodson, H. Ihee, A. H. Zewail, Proc. Natl. Acad. Sci. USA 2001, 98, 7117-7122.
-
(2001)
Proc. Natl. Acad. Sci. USA
, vol.98
, pp. 7117-7122
-
-
Ruan, C.-Y.1
Lobastov, V.A.2
Srinivasan, R.3
Goodson, B.M.4
Ihee, H.5
Zewail, A.H.6
-
72
-
-
0037042665
-
-
D. C. Clary, A. J. H. M. Meijer, J. Chem. Phys. 2002, 116, 9829-9838; For a detailed discussion of possible biochemical applications of UED, see Section 5.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 9829-9838
-
-
Clary, D.C.1
Meijer, A.J.H.M.2
-
74
-
-
7244242555
-
-
for recent applications, see: b) V. P. Novikov, S. Samdal, L. V. Vilkov, Russ. J. Gen. Chem. 2004, 74, 1072-1079;
-
(2004)
Russ. J. Gen. Chem.
, vol.74
, pp. 1072-1079
-
-
Novikov, V.P.1
Samdal, S.2
Vilkov, L.V.3
-
75
-
-
22944479142
-
-
c) V. P. Novikov, S. Samdal, L. V. Vilkov, Russ. J. Gen. Chem. 2004, 74, 1247-1253;
-
(2004)
Russ. J. Gen. Chem.
, vol.74
, pp. 1247-1253
-
-
Novikov, V.P.1
Samdal, S.2
Vilkov, L.V.3
-
76
-
-
1342343027
-
-
d) S. Gundersen, S. Samdal, R. Seip, T. G. Strand, J. Mol. Struct. 2004, 691, 149-158.
-
(2004)
J. Mol. Struct.
, vol.691
, pp. 149-158
-
-
Gundersen, S.1
Samdal, S.2
Seip, R.3
Strand, T.G.4
-
78
-
-
0004458741
-
-
b) V. P. Novikov, V. A. Sipachev, E. I. Kulikova, L. V. Vilkov, J. Mol. Struct. 1993, 301, 29-36.
-
(1993)
J. Mol. Struct.
, vol.301
, pp. 29-36
-
-
Novikov, V.P.1
Sipachev, V.A.2
Kulikova, E.I.3
Vilkov, L.V.4
-
79
-
-
1942518322
-
-
Recently, the use of quantum-mechanical third-order force constants in structural studies has also been considered, see c) V. A. Sipachev, J. Mol. Struct. 2004, 693, 235-240.
-
(2004)
J. Mol. Struct.
, vol.693
, pp. 235-240
-
-
Sipachev, V.A.1
-
80
-
-
27844585891
-
-
Ph.D. Thesis, University of Oslo (Norway)
-
a) D. Shorokhov, Ph.D. Thesis, University of Oslo (Norway) 2000;
-
(2000)
-
-
Shorokhov, D.1
-
81
-
-
0033543213
-
-
b) S. Gundersen, V. P. Novikov, S. Samdal, R. Seip, D. Shorokhov, V. A. Sipachev, J. Mol. Struct. 1999, 485-486, 97-114.
-
(1999)
J. Mol. Struct.
, vol.485-486
, pp. 97-114
-
-
Gundersen, S.1
Novikov, V.P.2
Samdal, S.3
Seip, R.4
Shorokhov, D.5
Sipachev, V.A.6
-
82
-
-
84893169025
-
-
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, J. A. Montgomery, J. Comput. Chem. 1993, 14, 1347-1363.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
84
-
-
27844546164
-
-
b) E. L. Osina, V. S. Mastryukov, L. V. Vilkov, S. J. Cyvin, J. Struct. Chem. 1975, 16, 977-978;
-
(1975)
J. Struct. Chem.
, vol.16
, pp. 977-978
-
-
Osina, E.L.1
Mastryukov, V.S.2
Vilkov, L.V.3
Cyvin, S.J.4
-
88
-
-
0001787769
-
-
f) V. S. Mastryukov, E. L. Osina, L. V. Vilkov, S. J. Cyvin, J. Struct. Chem. 1976, 17, 64-68.
-
(1976)
S. J. Cyvin, J. Struct. Chem.
, vol.17
, pp. 64-68
-
-
Mastryukov, V.S.1
Osina, E.L.2
Vilkov, L.V.3
-
90
-
-
84986513726
-
-
a) F. W. Biegler-König, R. F. W. Bader, T. Tang, J. Comput. Chem. 1982, 3, 317-328;
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 317-328
-
-
Biegler-König, F.W.1
Bader, R.F.W.2
Tang, T.3
-
91
-
-
0003822021
-
-
McMaster University, Ontario, Canada
-
b) J. R. Cheeseman, T. A. Keith, R. F. W. Bader, AIMPAC program package, McMaster University, Ontario, Canada, 1994.
-
(1994)
AIMPAC Program Package
-
-
Cheeseman, J.R.1
Keith, T.A.2
Bader, R.F.W.3
-
94
-
-
0346101636
-
-
Owing to the recent improvements in data collection and data reduction methods, the total electron-density distribution has now become measurable by solid-state X-ray diffraction. a) W. Scherer, P. Sirsch, D. Shorokhov, M. Tafipolsky, G. S. McGrady, E. Gullo, Chem. Eur. J. 2003, 9, 6057-6070;
-
(2003)
Chem. Eur. J.
, vol.9
, pp. 6057-6070
-
-
Scherer, W.1
Sirsch, P.2
Shorokhov, D.3
Tafipolsky, M.4
McGrady, G.S.5
Gullo, E.6
-
95
-
-
0037123771
-
-
and refernces therein
-
b) W. Scherer, P. Sirsch, D. Shorokhov, G. S. McGrady, S. A. Mason, M. G. Gardiner, Chem. Eur. J. 2002, 8, 2324-2334, and refernces therein.
-
(2002)
Chem. Eur. J.
, vol.8
, pp. 2324-2334
-
-
Scherer, W.1
Sirsch, P.2
Shorokhov, D.3
McGrady, G.S.4
Mason, S.A.5
Gardiner, M.G.6
-
96
-
-
27844581691
-
-
University of Oslo, Norway
-
G. Gundersen, S. Samdal, H. M. Seip, T. G. Strand, KCED25, Least-Squares Structural Refinement Program based on Gas Electron Diffraction Data, Parts I-III. University of Oslo, Norway, 1980.
-
(1980)
KCED25, Least-Squares Structural Refinement Program Based on Gas Electron Diffraction Data
, Issue.1-3 PART
-
-
Gundersen, G.1
Samdal, S.2
Seip, H.M.3
Strand, T.G.4
-
97
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
Gaussian98 (Revision A.7), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Gaussian98 (Revision A.7)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
98
-
-
0041606089
-
-
a) U. Bruhlmann, M. Nonella, P. Russegger, J. R. Huber, Chem. Phys. 1983, 81, 439-447;
-
(1983)
Chem. Phys.
, vol.81
, pp. 439-447
-
-
Bruhlmann, U.1
Nonella, M.2
Russegger, P.3
Huber, J.R.4
-
99
-
-
0001271118
-
-
b) N. Ohmori, T. Suzuki, M. Ito, J. Phys. Chem. 1988, 92, 1086-1093.
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 1086-1093
-
-
Ohmori, N.1
Suzuki, T.2
Ito, M.3
-
100
-
-
12944273297
-
-
R. Srinivasan, J. S. Feenstra, S. T. Park, S. Xu, A. H. Zewail, Science 2005, 307, 558-563.
-
(2005)
Science
, vol.307
, pp. 558-563
-
-
Srinivasan, R.1
Feenstra, J.S.2
Park, S.T.3
Xu, S.4
Zewail, A.H.5
-
101
-
-
0004090704
-
-
H. Ihee, J. Cao, A. H. Zewail, Angew. Chem. 2001, 113, 1580-1584;
-
(2001)
Angew. Chem.
, vol.113
, pp. 1580-1584
-
-
Ihee, H.1
Cao, J.2
Zewail, A.H.3
-
102
-
-
0035901638
-
-
Angew. Chem. Int. Ed. 2001, 40, 1532-1536.
-
(2001)
Angew. Chem. Int. Ed.
, vol.40
, pp. 1532-1536
-
-
-
107
-
-
0035800367
-
-
and references therein
-
Angew. Chem. Int. Ed. 2001, 40, 2809-2812, and references therein.
-
(2001)
Angew. Chem. Int. Ed.
, vol.40
, pp. 2809-2812
-
-
-
108
-
-
0141556718
-
-
E. S. Apostolova, A. P. Tikhonov, O. A. Sendyurev, Russ. J. Coord. Chem. 2002, 28, 38-45.
-
(2002)
Russ. J. Coord. Chem.
, vol.28
, pp. 38-45
-
-
Apostolova, E.S.1
Tikhonov, A.P.2
Sendyurev, O.A.3
-
110
-
-
0003318994
-
-
U. Radius, F. M. Bickelhaupt, A. W. Ehlers, N. Goldberg, R. Hoffmann, Inorg. Chem. 1998, 37, 1080-1090.
-
(1998)
Inorg. Chem.
, vol.37
, pp. 1080-1090
-
-
Radius, U.1
Bickelhaupt, F.M.2
Ehlers, A.W.3
Goldberg, N.4
Hoffmann, R.5
-
111
-
-
27844534009
-
-
note
-
3v) fragment and a much better 〈4p(Fe) | 2p(C)〉 overlap as compared to that of 3d (Fe) and 2p (C).
-
-
-
-
112
-
-
27844493270
-
-
note
-
[50]
-
-
-
-
113
-
-
0034673477
-
-
S. A. Trushin, W. Fuss, K. L. Kompa, W. E. Schmid, J. Phys. Chem. A 2000, 104, 1997-2006.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 1997-2006
-
-
Trushin, S.A.1
Fuss, W.2
Kompa, K.L.3
Schmid, W.E.4
-
114
-
-
85076868204
-
-
note
-
2″ is in the axial direction (ref. [53]).
-
-
-
-
115
-
-
85076869557
-
-
note
-
4 to the experimental data recorded in 2001 were clearly not successful (ref. [43]).
-
-
-
-
116
-
-
27844512922
-
-
note
-
The nozzle temperature reported in ref. [43] was 345 K. However, as our extensive studies of the temperature impact on the shapes of sM(s), f(r), ΔsM(s), and Δf(r) have indicated, a temperature difference of several Kelvin would not have a significant effect on the quality of UED simulations (Figure 12).
-
-
-
-
120
-
-
0345491105
-
-
b) C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
122
-
-
0027324441
-
-
W. W. Sprenger, W. D. Hoff, J. P. Armitage, K. J. Hellingwerf, J. Bacteriol. 1993, 175, 3096-3104.
-
(1993)
J. Bacteriol.
, vol.175
, pp. 3096-3104
-
-
Sprenger, W.W.1
Hoff, W.D.2
Armitage, J.P.3
Hellingwerf, K.J.4
-
124
-
-
0025829307
-
-
R. A. Mathies, S. W. Lin, J. B. Ames, W. T. Pollard, Annu. Rev. Biophys. Biophys. Chem. 1991, 20, 491-518.
-
(1991)
Annu. Rev. Biophys. Biophys. Chem.
, vol.20
, pp. 491-518
-
-
Mathies, R.A.1
Lin, S.W.2
Ames, J.B.3
Pollard, W.T.4
-
125
-
-
0038344081
-
-
M. J. Thompson, D. Bashford, L. Noodleman, E. D. Getzoff, J. Am. Chem. Soc. 2003, 125, 8186-8194.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 8186-8194
-
-
Thompson, M.J.1
Bashford, D.2
Noodleman, L.3
Getzoff, E.D.4
-
126
-
-
0037140791
-
-
W. L. Ryan, D. J. Gordon, D. H. Levy, J. Am. Chem. Soc. 2002, 124, 6194-6201.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 6194-6201
-
-
Ryan, W.L.1
Gordon, D.J.2
Levy, D.H.3
-
127
-
-
85076868909
-
-
note
-
14; H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-OH) is a precursor of one of the simplest peptide hormones, angiotensin II (AII). AII is a form of kinin that is abundant in the central and peripheral nervous system.
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-
-
-
128
-
-
0037517107
-
-
The molecular structure of Al was downloaded from the Protein Data Bank (www.rcsb.org; PDB ID 1N9U). See also: G. A. Spyroulias, P. Nikolakopoulou, A. Tzakos, I. P. Gerothanassis, V. Magafa, E. Manessi-Zoupa, P. Cordopatis, Eur. J. Biochem. 2003, 270, 2163-2173.
-
(2003)
Eur. J. Biochem.
, vol.270
, pp. 2163-2173
-
-
Spyroulias, G.A.1
Nikolakopoulou, P.2
Tzakos, A.3
Gerothanassis, I.P.4
Magafa, V.5
Manessi-Zoupa, E.6
Cordopatis, P.7
-
129
-
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27844476356
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note
-
For the unfolded species, a closer inspection of molecular structure reveals a group of repeating nonbonded distances (secondary order), which causes a local ordering in f(r).
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