-
1
-
-
20544457112
-
-
Benidar, A.; Guillemin, J.-C.; Mó, O.; Yáñez, M. J. Phys. Chem. A 2005, 109, 4705.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 4705
-
-
Benidar, A.1
Guillemin, J.-C.2
Mó, O.3
Yáñez, M.4
-
2
-
-
0031804652
-
-
Guillemin, J.-C.; Breneman, C. M.; Joseph, J. C.; Ferns, J. P. Chem. Eur. J. 1998, 4, 1074.
-
(1998)
Chem. Eur. J
, vol.4
, pp. 1074
-
-
Guillemin, J.-C.1
Breneman, C.M.2
Joseph, J.C.3
Ferns, J.P.4
-
3
-
-
84987350023
-
-
Xiang, Y.-B.; Drenkard, S.; Baumann, K.; Mickey, D.; Eschenmoser, A. Helv. Chim. Acta 1994, 77, 2209.
-
(1994)
Helv. Chim. Acta
, vol.77
, pp. 2209
-
-
Xiang, Y.-B.1
Drenkard, S.2
Baumann, K.3
Mickey, D.4
Eschenmoser, A.5
-
5
-
-
0001445147
-
-
Ungerechts, H.; Walmsley, C. M.; Winnewisser, G. Astron. Astrophys. 1980, 88, 259.
-
(1980)
Astron. Astrophys
, vol.88
, pp. 259
-
-
Ungerechts, H.1
Walmsley, C.M.2
Winnewisser, G.3
-
6
-
-
4243847034
-
-
Bockelee-Morvan, D.; Lis, D. C.; Wink, J. E.; Despois, D.; Crovisier, J.; Bachiller, R.; Benford, D. J.; Biver, N.; Colom, P.; Davies, J. K.; Gerard, E.; Germain, B.; Houde, M.; Mehringer, D.; Moreno, R.; Paubert, G.; Phillips, T. G.; Rauer, H. Astron. Astrophys. 2000, 353, 1101.
-
(2000)
Astron. Astrophys
, vol.353
, pp. 1101
-
-
Bockelee-Morvan, D.1
Lis, D.C.2
Wink, J.E.3
Despois, D.4
Crovisier, J.5
Bachiller, R.6
Benford, D.J.7
Biver, N.8
Colom, P.9
Davies, J.K.10
Gerard, E.11
Germain, B.12
Houde, M.13
Mehringer, D.14
Moreno, R.15
Paubert, G.16
Phillips, T.G.17
Rauer, H.18
-
7
-
-
0000305162
-
-
Kunde, V. G.; Aikin, A. C.; Hanel, R. A.; Jennings, D. E.; Maguire, W. C.; Samuelson, R. E. Nature (London) 1981, 292, 686.
-
(1981)
Nature (London)
, vol.292
, pp. 686
-
-
Kunde, V.G.1
Aikin, A.C.2
Hanel, R.A.3
Jennings, D.E.4
Maguire, W.C.5
Samuelson, R.E.6
-
8
-
-
0001760331
-
-
Coustenis, A.; Encrenaz, T.; Bezard, B.; Bjoraker, G.; Graner, G.; Dang Nhu, M.; Arie, E. Icarus 1993, 102, 240.
-
(1993)
Icarus
, vol.102
, pp. 240
-
-
Coustenis, A.1
Encrenaz, T.2
Bezard, B.3
Bjoraker, G.4
Graner, G.5
Dang Nhu, M.6
Arie, E.7
-
9
-
-
0001406402
-
-
Wyckoff, S.; Tegler, S. C.; Engel, L. Astrophys. J. 1991, 368, 279.
-
(1991)
Astrophys. J
, vol.368
, pp. 279
-
-
Wyckoff, S.1
Tegler, S.C.2
Engel, L.3
-
10
-
-
0036960277
-
-
Huebner, W. F. Earth, Moon, Planets 2002, 89, 179.
-
(2002)
Earth, Moon, Planets
, vol.89
, pp. 179
-
-
Huebner, W.F.1
-
11
-
-
84986381122
-
-
Ksander, G.; Bold, G.; Lattmann, R.; Lehmann, C.; Frueh, T.; Xiang, Y. B.; Inomata, K.; Buser, H. P.; Schreiber, J.; Zass, J.; Eschenmoser, A. Helv. Chim. Acta 1987, 70, 1115.
-
(1987)
Helv. Chim. Acta
, vol.70
, pp. 1115
-
-
Ksander, G.1
Bold, G.2
Lattmann, R.3
Lehmann, C.4
Frueh, T.5
Xiang, Y.B.6
Inomata, K.7
Buser, H.P.8
Schreiber, J.9
Zass, J.10
Eschenmoser, A.11
-
12
-
-
0025697732
-
-
Drenkard, S.; Ferris, J.; Eschenmoser, A. Helv. Chim. Acta 1990, 73, 1373.
-
(1990)
Helv. Chim. Acta
, vol.73
, pp. 1373
-
-
Drenkard, S.1
Ferris, J.2
Eschenmoser, A.3
-
13
-
-
0000668728
-
-
Wagner, E.; Xiang, Y. B.; Baumann, K.; Gueck, J.; Eschenmoser, A. Helv. Chim. Acta 1990, 73, 1391.
-
(1990)
Helv. Chim. Acta
, vol.73
, pp. 1391
-
-
Wagner, E.1
Xiang, Y.B.2
Baumann, K.3
Gueck, J.4
Eschenmoser, A.5
-
16
-
-
0041401966
-
-
Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
-
(1991)
J. Chem. Phys
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
18
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
19
-
-
0035866522
-
-
Dickens, J. E.; Irvine, W. M.; Nummelin, A.; Møllendal, H.; Saito, S.; Thorwirth, S.; Hjalmarson, A.; Ohishi, M. Spectrochim. Acta, Part A 2001, 57A, 643.
-
(2001)
Spectrochim. Acta, Part A
, vol.57 A
, pp. 643
-
-
Dickens, J.E.1
Irvine, W.M.2
Nummelin, A.3
Møllendal, H.4
Saito, S.5
Thorwirth, S.6
Hjalmarson, A.7
Ohishi, M.8
-
20
-
-
1642586495
-
-
Bernstein, M. P.; Ashbourn, S. F.; Sandford, S. A.; Allamandola, L. J. Astrophys. J. 2004, 601, 365.
-
(2004)
Astrophys. J
, vol.601
, pp. 365
-
-
Bernstein, M.P.1
Ashbourn, S.F.2
Sandford, S.A.3
Allamandola, L.J.4
-
21
-
-
33846081089
-
-
Personal communication
-
Hollis, J. T. Personal communication, 2005.
-
(2005)
-
-
Hollis, J.T.1
-
22
-
-
0000256842
-
-
Lovas, F. J.; Clark, F. O.; Tiemann, E. J. Chem. Phys. 1975, 62, 1925.
-
(1975)
J. Chem. Phys
, vol.62
, pp. 1925
-
-
Lovas, F.J.1
Clark, F.O.2
Tiemann, E.3
-
23
-
-
0002640986
-
-
Brown, R. D.; Godfrey, P. D.; Kleibömer, B. J. Mol. Spectrosc. 1987, 124, 21.
-
(1987)
J. Mol. Spectrosc
, vol.124
, pp. 21
-
-
Brown, R.D.1
Godfrey, P.D.2
Kleibömer, B.3
-
24
-
-
0001399748
-
-
Brown, R. D.; Godfrey, P. D.; Kleibömer, B.; Pierlot, A. P.; McNaughton, D. J. Mol. Spectrosc. 1990, 142, 195.
-
(1990)
J. Mol. Spectrosc
, vol.142
, pp. 195
-
-
Brown, R.D.1
Godfrey, P.D.2
Kleibömer, B.3
Pierlot, A.P.4
McNaughton, D.5
-
25
-
-
33846063835
-
-
Ammonia-15N (10% isotopic purity) purchased from Aldrich was used to minimize the cost. Thus, all the 15N-products (cyanoacetylene-15N, both isotopomers of aminopropenenitrile- 15N and amino-15N-propenenitrile) have a 10% isotopic purity
-
15N-propenenitrile) have a 10% isotopic purity.
-
-
-
-
26
-
-
23144445628
-
-
Møllendal, H.; Leonov, A.; de Meijere, A. J. Phys. Chem. A 2005, 109, 6344.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 6344
-
-
Møllendal, H.1
Leonov, A.2
de Meijere, A.3
-
27
-
-
33644609042
-
-
Møllendal, H.; Cole, G. C.; Guillemin, J.-C. J. Phys. Chem. A 2006, 110, 921.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 921
-
-
Møllendal, H.1
Cole, G.C.2
Guillemin, J.-C.3
-
28
-
-
0034673097
-
-
Kassi, S.; Petitprez, D.; Wlodarczak, G. J. Mol. Struct. 2000, 517-518, 375.
-
(2000)
J. Mol. Struct
, vol.517-518
, pp. 375
-
-
Kassi, S.1
Petitprez, D.2
Wlodarczak, G.3
-
29
-
-
0001619261
-
-
Helgaker, T.; Gauss, J.; Jørgensen, P.; Olsen, J. J. Chem. Phys. 1997, 106, 6430.
-
(1997)
J. Chem. Phys
, vol.106
, pp. 6430
-
-
Helgaker, T.1
Gauss, J.2
Jørgensen, P.3
Olsen, J.4
-
32
-
-
33846088474
-
-
Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J, Keith, T, Al-La
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision B.03; Gaussian, Inc.: Pittsburgh, PA, 2003.
-
-
-
-
34
-
-
33846094017
-
-
Personal communication
-
Sørensen, G. O. ROTFIT. Personal communication, 1972.
-
(1972)
-
-
Sørensen, G.1
ROTFIT, O.2
-
46
-
-
0034600107
-
-
Margulès, L.; Demaison, J.; Boggs, J. E. J. Mot. Struct. (THEOCHEM) 2000, 500, 245.
-
(2000)
J. Mot. Struct. (THEOCHEM)
, vol.500
, pp. 245
-
-
Margulès, L.1
Demaison, J.2
Boggs, J.E.3
-
47
-
-
0033804882
-
-
Margulès, L.; Demaison, J.; Boggs, J. E. Struct. Chem. 2000, 11, 145.
-
(2000)
Struct. Chem
, vol.11
, pp. 145
-
-
Margulès, L.1
Demaison, J.2
Boggs, J.E.3
-
48
-
-
0035852281
-
-
Margulès, L.; Demaison, J.; Rudolph, H. D. J. Mol. Struct. 2001, 599, 23.
-
(2001)
J. Mol. Struct
, vol.599
, pp. 23
-
-
Margulès, L.1
Demaison, J.2
Rudolph, H.D.3
-
50
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
-
(1989)
Chem. Phys. Lett
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
53
-
-
0012154673
-
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764.
-
(1998)
J. Chem. Phys
, vol.109
, pp. 7764
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
56
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
59
-
-
33846074462
-
-
Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 6/19/03, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory Richland, WA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information
-
Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 6/19/03, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory Richland, WA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
-
-
-
-
60
-
-
0004245504
-
-
University College Cardiff Consultants, Ltd, Cardiff, U.K
-
Werner, H.-J.; Knowles, P. J.; Amos, R. D.; Berhardsson, A.; Berning, A.; Celani, P.; Cooper, D. L.; Degan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Hetzer, G.; Lindh, R.; Lloyd, A. W.; McNicholas, S. J.; Manby, F. R.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pitzer, R.; Rauhut, G.; Schütz, M.; Stell, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T. MOLPRO; University College Cardiff Consultants, Ltd.: Cardiff, U.K., 2000.
-
(2000)
MOLPRO
-
-
Werner, H.-J.1
Knowles, P.J.2
Amos, R.D.3
Berhardsson, A.4
Berning, A.5
Celani, P.6
Cooper, D.L.7
Degan, M.J.O.8
Dobbyn, A.J.9
Eckert, F.10
Hampel, C.11
Hetzer, G.12
Lindh, R.13
Lloyd, A.W.14
McNicholas, S.J.15
Manby, F.R.16
Meyer, W.17
Mura, M.E.18
Nicklass, A.19
Palmieri, P.20
Pitzer, R.21
Rauhut, G.22
Schütz, M.23
Stell, H.24
Stone, A.J.25
Tarroni, R.26
Thorsteinsson, T.27
more..
-
61
-
-
0002745201
-
-
Hampel, C.; Peterson, K. A.; Werner, H. J. Chem. Phys. Lett. 1992, 190, 1.
-
(1992)
J. Chem. Phys. Lett
, vol.190
, pp. 1
-
-
Hampel, C.1
Peterson, K.A.2
Werner, H.3
-
63
-
-
0001381706
-
-
Demaison, J.; Cosléou, J.; Bocquet, R.; Lesarri, A. G. J. Mol. Spectrosc. 1994, 167, 400.
-
(1994)
J. Mol. Spectrosc
, vol.167
, pp. 400
-
-
Demaison, J.1
Cosléou, J.2
Bocquet, R.3
Lesarri, A.G.4
-
64
-
-
0000238534
-
-
Colmont, J. M.; Wlodarczak, G.; Priem, D.; Müller, H. S. P.; Tien, E. H.; Richards, R. J.; Gerry, M. C. L. J. Mot. Spectrosc. 1997, 181, 330.
-
(1997)
J. Mot. Spectrosc
, vol.181
, pp. 330
-
-
Colmont, J.M.1
Wlodarczak, G.2
Priem, D.3
Müller, H.S.P.4
Tien, E.H.5
Richards, R.J.6
Gerry, M.C.L.7
-
66
-
-
84990713479
-
-
Lee, T. J.; Taylor, P. R. Int. J. Quantum Chem., Quantum Chem. Symp. 1989, 23, 199.
-
(1989)
Int. J. Quantum Chem., Quantum Chem. Symp
, vol.23
, pp. 199
-
-
Lee, T.J.1
Taylor, P.R.2
-
67
-
-
0035852022
-
-
Halter, R. J.; Fimmen, R. L.; McMahon, R. J.; Peebles, S. A.; Kuczkowski, R. L.; Stanton, J. F. J. Am. Chem. Soc. 2001, 123, 12353.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 12353
-
-
Halter, R.J.1
Fimmen, R.L.2
McMahon, R.J.3
Peebles, S.A.4
Kuczkowski, R.L.5
Stanton, J.F.6
-
71
-
-
0000327988
-
-
Margulès, L.; Demaison, J.; Boggs, J. E. J. Phys. Chem. A 1999, 103, 7632.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 7632
-
-
Margulès, L.1
Demaison, J.2
Boggs, J.E.3
-
72
-
-
0006953753
-
-
Lesarri, A. G.; Cosléou, J.; Li, X.; Wlodarczak, G.; Demaison, J. J. Mol. Spectrosc. 1995, 172, 520.
-
(1995)
J. Mol. Spectrosc
, vol.172
, pp. 520
-
-
Lesarri, A.G.1
Cosléou, J.2
Li, X.3
Wlodarczak, G.4
Demaison, J.5
-
73
-
-
0001930321
-
-
Omron, R. M.; Hight Walker, A. R.; Hilpert, G.; Fraser, G. T.; Suenram, R. D. J. Mol. Spectrosc. 1996, 179, 85.
-
(1996)
J. Mol. Spectrosc
, vol.179
, pp. 85
-
-
Omron, R.M.1
Hight Walker, A.R.2
Hilpert, G.3
Fraser, G.T.4
Suenram, R.D.5
-
74
-
-
0037028199
-
-
Dimitrova, V.; Ilieva, S.; Galabov, B. J. Phys. Chem. A 2002, 106, 11801.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 11801
-
-
Dimitrova, V.1
Ilieva, S.2
Galabov, B.3
|