-
2
-
-
0023804303
-
Contributions of mass spectrometry to peptide and protein structure
-
K. Biemann Contributions of mass spectrometry to peptide and protein structure Biomedical and Environmental Mass Spectrometry 16 1988 99 111
-
(1988)
Biomedical and Environmental Mass Spectrometry
, vol.16
, pp. 99-111
-
-
Biemann, K.1
-
3
-
-
84987419408
-
Proposal for a common nomenclature for sequence ions in mass spectra of peptides
-
P. Roepstorff, and J. Fohlman Proposal for a common nomenclature for sequence ions in mass spectra of peptides Biomedical Mass Spectrometry 11 1984 601
-
(1984)
Biomedical Mass Spectrometry
, vol.11
, pp. 601
-
-
Roepstorff, P.1
Fohlman, J.2
-
5
-
-
0033434080
-
Probability-based protein identification by searching sequence databases using mass spectrometry data
-
D.N. Perkins, D.J.C. Pappin, D.M. Creasy, and J.S. Cottrell Probability-based protein identification by searching sequence databases using mass spectrometry data Electrophoresis 20 1999 3551 3567
-
(1999)
Electrophoresis
, vol.20
, pp. 3551-3567
-
-
Perkins, D.N.1
Pappin, D.J.C.2
Creasy, D.M.3
Cottrell, J.S.4
-
6
-
-
0030884713
-
Emerging tandem-mass-spectrometry techniques for the rapid identification of proteins
-
A.R. Dongre, J.K. Eng, and J.R. Yates Emerging tandem-mass-spectrometry techniques for the rapid identification of proteins Trends in Biotechnology 15 1997 418 425
-
(1997)
Trends in Biotechnology
, vol.15
, pp. 418-425
-
-
Dongre, A.R.1
Eng, J.K.2
Yates, J.R.3
-
7
-
-
3142702204
-
TANDEM: Matching proteins with tandem mass spectra
-
R. Craig, and R.C. Beavis TANDEM: matching proteins with tandem mass spectra Bioinformatics 20 2004 1466 1467
-
(2004)
Bioinformatics
, vol.20
, pp. 1466-1467
-
-
Craig, R.1
Beavis, R.C.2
-
8
-
-
34250789712
-
Backbone cleavages of carbon monoxide and sequential loss and ammonia from protonated AGG: A combined tandem mass spectrometry, isotope labeling, and theoretical study
-
B.J. Bythell, D.F. Barofsky, F. Pingitore, M.J. Polce, P. Wang, C. Wesdemiotis, and B. Paizs Backbone cleavages of carbon monoxide and sequential loss and ammonia from protonated AGG: a combined tandem mass spectrometry, isotope labeling, and theoretical study Journal of the American Society for Mass Spectrometry 18 2007 1291 1303
-
(2007)
Journal of the American Society for Mass Spectrometry
, vol.18
, pp. 1291-1303
-
-
Bythell, B.J.1
Barofsky, D.F.2
Pingitore, F.3
Polce, M.J.4
Wang, P.5
Wesdemiotis, C.6
Paizs, B.7
-
9
-
-
0027618667
-
Neutral products formed during backbone fragmentations of protonated peptides in tandem mass spectrometry
-
M.M. Cordero, J.J. Houser, and C. Wesdemiotis Neutral products formed during backbone fragmentations of protonated peptides in tandem mass spectrometry Analytical Chemistry 65 1993 1594 1601
-
(1993)
Analytical Chemistry
, vol.65
, pp. 1594-1601
-
-
Cordero, M.M.1
Houser, J.J.2
Wesdemiotis, C.3
-
10
-
-
0842285056
-
The interpretation of collision-induced dissociation tandem mass-spectra of peptides
-
I.A. Papayannopoulos The interpretation of collision-induced dissociation tandem mass-spectra of peptides Mass Spectrometry Reviews 14 1995 49 73
-
(1995)
Mass Spectrometry Reviews
, vol.14
, pp. 49-73
-
-
Papayannopoulos, I.A.1
-
11
-
-
3242661987
-
Intramolecular condensation reactions in protonated dipeptides: Carbon monoxide, water, and ammonia losses in competition
-
F. Pingitore, M.J. Polce, P. Wang, C. Wesdemiotis, and B. Paizs Intramolecular condensation reactions in protonated dipeptides: carbon monoxide, water, and ammonia losses in competition Journal of the American Society for Mass Spectrometry 15 2004 1025 1038
-
(2004)
Journal of the American Society for Mass Spectrometry
, vol.15
, pp. 1025-1038
-
-
Pingitore, F.1
Polce, M.J.2
Wang, P.3
Wesdemiotis, C.4
Paizs, B.5
-
12
-
-
0034516862
-
Special feature: Commentary-dissociation of the peptide bond in protonated peptides
-
M.J. Polce, D. Ren, and C. Wesdemiotis Special feature: commentary-dissociation of the peptide bond in protonated peptides Journal of Mass Spectrometry 35 2000 1391 1398
-
(2000)
Journal of Mass Spectrometry
, vol.35
, pp. 1391-1398
-
-
Polce, M.J.1
Ren, D.2
Wesdemiotis, C.3
-
14
-
-
77958486271
-
Cyclization and rearrangement reactions of a(n) fragment ions of protonated peptides
-
B.J. Bythell, P. Maitre, and B. Paizs Cyclization and rearrangement reactions of a(n) fragment ions of protonated peptides Journal of the American Chemical Society 132 2010 14766 14779
-
(2010)
Journal of the American Chemical Society
, vol.132
, pp. 14766-14779
-
-
Bythell, B.J.1
Maitre, P.2
Paizs, B.3
-
17
-
-
0032232662
-
A mass spectrometric and ab initio study of the pathways for dehydration of simple glycine and cysteine-containing peptide M+H (+) ions
-
G.E. Reid, R.J. Simpson, and R.A.J. O'Hair A mass spectrometric and ab initio study of the pathways for dehydration of simple glycine and cysteine-containing peptide M+H (+) ions Journal of the American Society for Mass Spectrometry 9 1998 945 956
-
(1998)
Journal of the American Society for Mass Spectrometry
, vol.9
, pp. 945-956
-
-
Reid, G.E.1
Simpson, R.J.2
O'Hair, R.A.J.3
-
18
-
-
0035029536
-
Proton mobility in protonated glycylglycine and N- formylglycylglycinamide: A combined quantum chemical and RKKM study
-
B. Paizs, I.P. Csonka, G. Lendvay, and S. Suhai Proton mobility in protonated glycylglycine and N-formylglycylglycinamide: a combined quantum chemical and RKKM study Rapid Communications in Mass Spectrometry 15 2001 637 650
-
(2001)
Rapid Communications in Mass Spectrometry
, vol.15
, pp. 637-650
-
-
Paizs, B.1
Csonka, I.P.2
Lendvay, G.3
Suhai, S.4
-
19
-
-
0035029537
-
Theoretical study of the main fragmentation pathways for protonated glycylglycine
-
B. Paizs, and S. Suhai Theoretical study of the main fragmentation pathways for protonated glycylglycine Rapid Communications in Mass Spectrometry 15 2001 651 663
-
(2001)
Rapid Communications in Mass Spectrometry
, vol.15
, pp. 651-663
-
-
Paizs, B.1
Suhai, S.2
-
20
-
-
0033625439
-
Formation of a(2)(+) ions of protonated peptides. An ab initio study
-
B. Paizs, Z. Szlavik, G. Lendvay, K. Vekey, and S. Suhai Formation of a(2)(+) ions of protonated peptides. An ab initio study Rapid Communications in Mass Spectrometry 14 2000 746 755
-
(2000)
Rapid Communications in Mass Spectrometry
, vol.14
, pp. 746-755
-
-
Paizs, B.1
Szlavik, Z.2
Lendvay, G.3
Vekey, K.4
Suhai, S.5
-
22
-
-
58149324705
-
Why are B ions stable species in peptide spectra?
-
T. Yalcin, C. Khouw, I.G. Csizmadia, M.R. Peterson, and A.G. Harrison Why are B ions stable species in peptide spectra? Journal of the American Society for Mass Spectrometry 6 1995 1165 1174
-
(1995)
Journal of the American Society for Mass Spectrometry
, vol.6
, pp. 1165-1174
-
-
Yalcin, T.1
Khouw, C.2
Csizmadia, I.G.3
Peterson, M.R.4
Harrison, A.G.5
-
23
-
-
29044431915
-
Spectroscopic and theoretical evidence for oxazolone ring formation in collision-induced dissociation of peptides
-
N.C. Polfer, J. Oomens, S. Suhai, and B. Paizs Spectroscopic and theoretical evidence for oxazolone ring formation in collision-induced dissociation of peptides Journal of the American Chemical Society 127 2005 17154 17155
-
(2005)
Journal of the American Chemical Society
, vol.127
, pp. 17154-17155
-
-
Polfer, N.C.1
Oomens, J.2
Suhai, S.3
Paizs, B.4
-
24
-
-
15944391659
-
Proton migration and its effect on the MS fragmentation of N-acetyl OMe proline: MS/MS experiments and ab initio and density functional calculations
-
I. Komaromi, A. Somogyi, and V.H. Wysocki Proton migration and its effect on the MS fragmentation of N-acetyl OMe proline: MS/MS experiments and ab initio and density functional calculations International Journal of Mass Spectrometry 241 2005 315 323
-
(2005)
International Journal of Mass Spectrometry
, vol.241
, pp. 315-323
-
-
Komaromi, I.1
Somogyi, A.2
Wysocki, V.H.3
-
25
-
-
33747609610
-
Scrambling of sequence information in collision-induced dissociation of peptides
-
A.G. Harrison, A.B. Young, C. Bleiholder, S. Suhai, and B. Paizs Scrambling of sequence information in collision-induced dissociation of peptides Journal of the American Chemical Society 128 2006 10364 10365
-
(2006)
Journal of the American Chemical Society
, vol.128
, pp. 10364-10365
-
-
Harrison, A.G.1
Young, A.B.2
Bleiholder, C.3
Suhai, S.4
Paizs, B.5
-
26
-
-
0032232401
-
Role of the sulfhydryl group on the gas phase fragmentation reactions of protonated cysteine and cysteine containing peptides
-
R.A.J. O'Hair, M.L. Styles, and G.E. Reid Role of the sulfhydryl group on the gas phase fragmentation reactions of protonated cysteine and cysteine containing peptides Journal of the American Society for Mass Spectrometry 9 1998 1275 1284
-
(1998)
Journal of the American Society for Mass Spectrometry
, vol.9
, pp. 1275-1284
-
-
O'Hair, R.A.J.1
Styles, M.L.2
Reid, G.E.3
-
27
-
-
0029796491
-
Role of the site of protonation in the low-energy decompositions of gas phase peptide ions (vol 7, pg 522, 1996)
-
K.A. Cox, S.J. Gaskell, M. Morris, and A. Whiting Role of the site of protonation in the low-energy decompositions of gas phase peptide ions (vol 7, pg 522, 1996) Journal of the American Society for Mass Spectrometry 7 1996 759
-
(1996)
Journal of the American Society for Mass Spectrometry
, vol.7
, pp. 759
-
-
Cox, K.A.1
Gaskell, S.J.2
Morris, M.3
Whiting, A.4
-
29
-
-
0029810698
-
Influence of peptide composition, gas-phase basicity, and chemical modification on fragmentation efficiency: Evidence for the mobile proton model
-
A.R. Dongre, J.L. Jones, A. Somogyi, and V.H. Wysocki Influence of peptide composition, gas-phase basicity, and chemical modification on fragmentation efficiency: evidence for the mobile proton model Journal of the American Chemical Society 118 1996 8365 8374
-
(1996)
Journal of the American Chemical Society
, vol.118
, pp. 8365-8374
-
-
Dongre, A.R.1
Jones, J.L.2
Somogyi, A.3
Wysocki, V.H.4
-
31
-
-
0034501099
-
Special feature: Commentary-mobile and localized protons: A framework for understanding peptide dissociation
-
V.H. Wysocki, G. Tsaprailis, L.L. Smith, and L.A. Breci Special feature: commentary-mobile and localized protons: a framework for understanding peptide dissociation Journal of Mass Spectrometry 35 2000 1399 1406
-
(2000)
Journal of Mass Spectrometry
, vol.35
, pp. 1399-1406
-
-
Wysocki, V.H.1
Tsaprailis, G.2
Smith, L.L.3
Breci, L.A.4
-
33
-
-
84864669783
-
Collision Induced dissociation of doubly-charged ions: Coulomb explosion vs neutral loss in [Ca(urea)]2+ gas phase unimolecular reactivity via chemical dynamics simulations
-
R. Spezia, A. Cimas, M.-P. Gaigeot, J.-Y. Salpin, K. Song, and W.L. Hase Collision Induced dissociation of doubly-charged ions: coulomb explosion vs neutral loss in [Ca(urea)]2+ gas phase unimolecular reactivity via chemical dynamics simulations Physical Chemistry Chemical Physics 14 2012 11724 11736
-
(2012)
Physical Chemistry Chemical Physics
, vol.14
, pp. 11724-11736
-
-
Spezia, R.1
Cimas, A.2
Gaigeot, M.-P.3
Salpin, J.-Y.4
Song, K.5
Hase, W.L.6
-
35
-
-
0037168352
-
Direct dynamics simulations of collision- and surface-induced dissociation of N-protonated glycine. Shattering fragmentation
-
S.O. Meroueh, Y.F. Wang, and W.L. Hase Direct dynamics simulations of collision- and surface-induced dissociation of N-protonated glycine. Shattering fragmentation Journal of Physical Chemistry A 106 2002 9983 9992
-
(2002)
Journal of Physical Chemistry A
, vol.106
, pp. 9983-9992
-
-
Meroueh, S.O.1
Wang, Y.F.2
Hase, W.L.3
-
36
-
-
80955142804
-
Collision induced dissociation of protonated urea with N(2): Effects of rotational energy on reactivity and energy transfer via chemical dynamics simulations
-
Y. Jeanvoine, M.-P. Gaigeot, W.L. Hase, K. Song, and R. Spezia Collision induced dissociation of protonated urea with N(2): effects of rotational energy on reactivity and energy transfer via chemical dynamics simulations International Journal of Mass Spectrometry 308 2011 289 298
-
(2011)
International Journal of Mass Spectrometry
, vol.308
, pp. 289-298
-
-
Jeanvoine, Y.1
Gaigeot, M.-P.2
Hase, W.L.3
Song, K.4
Spezia, R.5
-
37
-
-
72649099886
-
Protonated urea collision-induced dissociation. comparison of experiments and chemical dynamics simulations
-
R. Spezia, J.-Y. Salpin, M.-P. Gaigeot, W.L. Hase, and K. Song Protonated urea collision-induced dissociation. comparison of experiments and chemical dynamics simulations Journal of Physical Chemistry A 113 2009 13853 13862
-
(2009)
Journal of Physical Chemistry A
, vol.113
, pp. 13853-13862
-
-
Spezia, R.1
Salpin, J.-Y.2
Gaigeot, M.-P.3
Hase, W.L.4
Song, K.5
-
39
-
-
4344629581
-
Quasiclassical trajectory study of the collision-induced dissociation of CH3SH++Ar
-
E. Martinez-Nunez, S.A. Vazquez, and J.M.C. Marques Quasiclassical trajectory study of the collision-induced dissociation of CH3SH++Ar Journal of Chemical Physics 121 2004 2571 2577
-
(2004)
Journal of Chemical Physics
, vol.121
, pp. 2571-2577
-
-
Martinez-Nunez, E.1
Vazquez, S.A.2
Marques, J.M.C.3
-
40
-
-
32544451957
-
Quasiclassical trajectory study of the collision-induced dissociation dynamics of Ar + CH3SH+ using an ab initio interpolated potential energy surface
-
E. Martinez-Nunez, S.A. Vazquez, F.J. Aoiz, and J.F. Castillo Quasiclassical trajectory study of the collision-induced dissociation dynamics of Ar + CH3SH+ using an ab initio interpolated potential energy surface Journal of Physical Chemistry A 110 2006 1225 1231
-
(2006)
Journal of Physical Chemistry A
, vol.110
, pp. 1225-1231
-
-
Martinez-Nunez, E.1
Vazquez, S.A.2
Aoiz, F.J.3
Castillo, J.F.4
-
41
-
-
28344456142
-
Quasiclassical dynamics simulation of the collision-induced dissociation of Cr(CO)(6)(+) with Xe
-
E. Martinez-Nunez, A. Fernandez-Ramos, S.A. Vazquez, J.M.C. Marques, M.Y. Xue, and W.L. Hase Quasiclassical dynamics simulation of the collision-induced dissociation of Cr(CO)(6)(+) with Xe Journal of Chemical Physics 123 2005
-
(2005)
Journal of Chemical Physics
, vol.123
-
-
Martinez-Nunez, E.1
Fernandez-Ramos, A.2
Vazquez, S.A.3
Marques, J.M.C.4
Xue, M.Y.5
Hase, W.L.6
-
44
-
-
80054021628
-
Modeling the interactions between peptide functions and Sr(2+):formamide-Sr(2+) reactions in the gas phase
-
A. Eizaguirre, O. Mo, M. Yanez, and J.-Y. Salpin Modeling the interactions between peptide functions and Sr(2+):formamide-Sr(2+) reactions in the gas phase Physical Chemistry Chemical Physics 13 2011 18409 18417
-
(2011)
Physical Chemistry Chemical Physics
, vol.13
, pp. 18409-18417
-
-
Eizaguirre, A.1
Mo, O.2
Yanez, M.3
Salpin, J.-Y.4
-
45
-
-
33846443972
-
Unimolecular reactivity of uracil-Cu2(+) complexes in the gas phase
-
A.M. Lamsabhi, M. Alcami, O. Mo, M. Yanez, J. Tortajada, and J.-Y. Salpin Unimolecular reactivity of uracil-Cu2(+) complexes in the gas phase ChemPhysChem 8 2007 181 187
-
(2007)
ChemPhysChem
, vol.8
, pp. 181-187
-
-
Lamsabhi, A.M.1
Alcami, M.2
Mo, O.3
Yanez, M.4
Tortajada, J.5
Salpin, J.-Y.6
-
46
-
-
33344468031
-
Mid-IR spectroscopy of protonated leucine methyl ester performed with an FTICR or a Paul type ion-trap
-
L. Mac Aleese, A. Simon, T.B. McMahon, J.M. Ortega, D. Scuderi, J. Lemaire, and P. Maitre Mid-IR spectroscopy of protonated leucine methyl ester performed with an FTICR or a Paul type ion-trap International Journal of Mass Spectrometry 249 2006 14 20
-
(2006)
International Journal of Mass Spectrometry
, vol.249
, pp. 14-20
-
-
Mac Aleese, L.1
Simon, A.2
McMahon, T.B.3
Ortega, J.M.4
Scuderi, D.5
Lemaire, J.6
Maitre, P.7
-
47
-
-
0002663380
-
Two-colour operation of a free-electron laser and applications in the mid-infrared
-
R. Prazeres, F. Glotin, C. Insa, D.A. Jaroszynski, and J.M. Ortega Two-colour operation of a free-electron laser and applications in the mid-infrared European Physical Journal D 3 1998 87 93
-
(1998)
European Physical Journal D
, vol.3
, pp. 87-93
-
-
Prazeres, R.1
Glotin, F.2
Insa, C.3
Jaroszynski, D.A.4
Ortega, J.M.5
-
48
-
-
34250817103
-
A new mixing of Hartree-Fock and local density-functional theories
-
A.D. Becke A new mixing of Hartree-Fock and local density-functional theories Journal of Chemical Physics 98 1993 1372 1377
-
(1993)
Journal of Chemical Physics
, vol.98
, pp. 1372-1377
-
-
Becke, A.D.1
-
49
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
C.T. Lee, W.T. Yang, and R.G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Physical Review B 37 1988 785 789
-
(1988)
Physical Review B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
50
-
-
33845196704
-
-
Gaussian, Inc. Wallingford, CT
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian Program Suite, Gaussian 03 2004 Gaussian, Inc. Wallingford, CT
-
(2004)
Gaussian Program Suite, Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, Jr.J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
51
-
-
0000481322
-
An exploratory study of reactant vibrational effects in CH3 + H2 and its isotopic variants
-
S. Chapman, and D.L. Bunker An exploratory study of reactant vibrational effects in CH3 + H2 and its isotopic variants Journal of Chemical Physics 62 1975 2890 2899
-
(1975)
Journal of Chemical Physics
, vol.62
, pp. 2890-2899
-
-
Chapman, S.1
Bunker, D.L.2
-
53
-
-
36749114336
-
On the dynamics of state selected unimolecular reactions: Chloroacetylene dissociation and predissociation
-
C.S. Sloane, and W.L. Hase On the dynamics of state selected unimolecular reactions: chloroacetylene dissociation and predissociation Journal of Chemical Physics 66 1977 1523 1533
-
(1977)
Journal of Chemical Physics
, vol.66
, pp. 1523-1533
-
-
Sloane, C.S.1
Hase, W.L.2
-
54
-
-
0011719445
-
Vectorization of the general Monte Carlo classical trajectory program VENUS
-
X.C. Hu, W.L. Hase, and T. Pirraglia Vectorization of the general Monte Carlo classical trajectory program VENUS Journal of Computational Chemistry 12 1991 1014 1024
-
(1991)
Journal of Computational Chemistry
, vol.12
, pp. 1014-1024
-
-
Hu, X.C.1
Hase, W.L.2
Pirraglia, T.3
-
55
-
-
0000253711
-
VENUS96, a general chemical dynamics computer program
-
W.L. Hase, R.J. Duchovic, X. Hu, A. Komornicki, K. Lim, D.-H. Lu, G.H. Peslherbe, K.N. Swamy, S.R. Vande Linde, H. Wang, and R.J. Wolf VENUS96, a general chemical dynamics computer program QCPE Bulletin 16 1996
-
(1996)
QCPE Bulletin
, vol.16
-
-
Hase, W.L.1
Duchovic, R.J.2
Hu, X.3
Komornicki, A.4
Lim, K.5
Lu, D.-H.6
Peslherbe, G.H.7
Swamy, K.N.8
Vande Linde, S.R.9
Wang, H.10
Wolf, R.J.11
-
56
-
-
0025390935
-
Special issue-MOPAC-A semiempirical molecular-orbital program
-
J.J.P. Stewart Special issue-MOPAC-a semiempirical molecular-orbital program Journal of Computer-Aided Molecular Design 4 1990 1 45
-
(1990)
Journal of Computer-Aided Molecular Design
, vol.4
, pp. 1-45
-
-
Stewart, J.J.P.1
-
57
-
-
0000496681
-
Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities
-
M.D. Halls, and H.B. Schlegel Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities Journal of Chemical Physics 109 1998 10587 10593
-
(1998)
Journal of Chemical Physics
, vol.109
, pp. 10587-10593
-
-
Halls, M.D.1
Schlegel, H.B.2
-
58
-
-
0035590136
-
Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set
-
M.D. Halls, J. Velkovski, and H.B. Schlegel Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set Theoretical Chemistry Accounts 105 2001 413 421
-
(2001)
Theoretical Chemistry Accounts
, vol.105
, pp. 413-421
-
-
Halls, M.D.1
Velkovski, J.2
Schlegel, H.B.3
-
59
-
-
3042662217
-
Investigation of the protonation site in the dialanine peptide by infrared multiphoton dissociation spectroscopy
-
B. Lucas, G. Gregoire, J. Lemaire, P. Maitre, J.M. Ortega, A. Rupenyan, B. Reimann, J.P. Schermann, and C. Desfrancois Investigation of the protonation site in the dialanine peptide by infrared multiphoton dissociation spectroscopy Physical Chemistry Chemical Physics 6 2004 2659 2663
-
(2004)
Physical Chemistry Chemical Physics
, vol.6
, pp. 2659-2663
-
-
Lucas, B.1
Gregoire, G.2
Lemaire, J.3
Maitre, P.4
Ortega, J.M.5
Rupenyan, A.6
Reimann, B.7
Schermann, J.P.8
Desfrancois, C.9
-
60
-
-
35648966481
-
Infrared spectra of protonated uracil, thymine and cytosine
-
J.Y. Salpin, S. Guillaumont, J. Tortajada, L. MacAleese, J. Lemaire, and P. Maitre Infrared spectra of protonated uracil, thymine and cytosine ChemPhysChem 8 2007 2235 2244
-
(2007)
ChemPhysChem
, vol.8
, pp. 2235-2244
-
-
Salpin, J.Y.1
Guillaumont, S.2
Tortajada, J.3
MacAleese, L.4
Lemaire, J.5
Maitre, P.6
-
61
-
-
80052685169
-
Diagnosing the protonation site of b(2) peptide fragment ions using IRMPD in the XH (X = O, N, and C) stretching region
-
R.K. Sinha, U. Erlekam, B.J. Bythell, B. Paizs, and P. Maitre Diagnosing the protonation site of b(2) peptide fragment ions using IRMPD in the XH (X = O, N, and C) stretching region Journal of the American Society for Mass Spectrometry 22 2011 1645 1650
-
(2011)
Journal of the American Society for Mass Spectrometry
, vol.22
, pp. 1645-1650
-
-
Sinha, R.K.1
Erlekam, U.2
Bythell, B.J.3
Paizs, B.4
Maitre, P.5
-
62
-
-
68849091117
-
Infrared spectroscopy of fragments of protonated peptides: Direct evidence for macrocyclic structures of b(5) ions
-
U. Erlekam, B.J. Bythell, D. Scuderi, M. Van Stipdonk, B. Paizs, and P. Maitre Infrared spectroscopy of fragments of protonated peptides: direct evidence for macrocyclic structures of b(5) ions Journal of the American Chemical Society 131 2009 11503 11508
-
(2009)
Journal of the American Chemical Society
, vol.131
, pp. 11503-11508
-
-
Erlekam, U.1
Bythell, B.J.2
Scuderi, D.3
Van Stipdonk, M.4
Paizs, B.5
Maitre, P.6
-
63
-
-
64749091516
-
Infrared spectroscopy of fragments from doubly protonated tryptic peptides
-
B.J. Bythell, U. Erlekam, B. Paizs, and P. Maitre Infrared spectroscopy of fragments from doubly protonated tryptic peptides ChemPhysChem 10 2009 883 885
-
(2009)
ChemPhysChem
, vol.10
, pp. 883-885
-
-
Bythell, B.J.1
Erlekam, U.2
Paizs, B.3
Maitre, P.4
-
64
-
-
84856244936
-
Spectroscopic evidence for an oxazolone structure in anionic b-type peptide fragments
-
J. Grzetic, and J. Oomens Spectroscopic evidence for an oxazolone structure in anionic b-type peptide fragments Journal of the American Society for Mass Spectrometry 23 2012 290 300
-
(2012)
Journal of the American Society for Mass Spectrometry
, vol.23
, pp. 290-300
-
-
Grzetic, J.1
Oomens, J.2
-
65
-
-
84860524921
-
IRMPD spectroscopy b(2) ions from protonated tripeptides with 4-aminomethyl benzoic acid residues
-
M.J. Kullman, S. Molesworth, G. Berden, J. Oomens, and M. Van Stipdonk IRMPD spectroscopy b(2) ions from protonated tripeptides with 4-aminomethyl benzoic acid residues International Journal of Mass Spectrometry 316 2012 174 181
-
(2012)
International Journal of Mass Spectrometry
, vol.316
, pp. 174-181
-
-
Kullman, M.J.1
Molesworth, S.2
Berden, G.3
Oomens, J.4
Van Stipdonk, M.5
-
66
-
-
84860596634
-
Disfavoring macrocycle b fragments by constraining torsional freedom: The "twisted" case of QWFGLM b(6)
-
M. Tirado, J. Rutters, X. Chen, A. Yeung, J. van Maarseveen, J.R. Eyler, G. Berden, J. Oomens, and N.C. Polfer Disfavoring macrocycle b fragments by constraining torsional freedom: the "twisted" case of QWFGLM b(6) Journal of the American Society for Mass Spectrometry 23 2012 475 482
-
(2012)
Journal of the American Society for Mass Spectrometry
, vol.23
, pp. 475-482
-
-
Tirado, M.1
Rutters, J.2
Chen, X.3
Yeung, A.4
Van Maarseveen, J.5
Eyler, J.R.6
Berden, G.7
Oomens, J.8
Polfer, N.C.9
-
67
-
-
84860530358
-
Competition between diketopiperazine and oxazolone formation in water loss products from protonated ArgGly and GlyArg
-
S. Zou, J. Oomens, and N.C. Polfer Competition between diketopiperazine and oxazolone formation in water loss products from protonated ArgGly and GlyArg International Journal of Mass Spectrometry 316 2012 12 17
-
(2012)
International Journal of Mass Spectrometry
, vol.316
, pp. 12-17
-
-
Zou, S.1
Oomens, J.2
Polfer, N.C.3
-
68
-
-
73249121222
-
Effect of peptide fragment size on the propensity of cyclization in collision-induced dissociation: Oligoglycine b(2)-b(8)
-
X. Chen, L. Yu, J.D. Steill, J. Oomens, and N.C. Polfer Effect of peptide fragment size on the propensity of cyclization in collision-induced dissociation: oligoglycine b(2)-b(8) Journal of the American Chemical Society 131 2009 18272 18282
-
(2009)
Journal of the American Chemical Society
, vol.131
, pp. 18272-18282
-
-
Chen, X.1
Yu, L.2
Steill, J.D.3
Oomens, J.4
Polfer, N.C.5
|