-
1
-
-
0034285165
-
IR Spectroscopy of Isotope-Labeled Helical Peptides: Probing the Effect of N-Acetylation on Helix Stability
-
Decatur, S. M. IR Spectroscopy of Isotope-Labeled Helical Peptides: Probing the Effect of N-Acetylation on Helix Stability Biopolymers 2000, 54, 180-185
-
(2000)
Biopolymers
, vol.54
, pp. 180-185
-
-
Decatur, S.M.1
-
3
-
-
1542306923
-
Nature of Vibrational Coupling in Helical Peptides: An Isotopic Labeling Study
-
Huang, R.; Kubelka, J.; Barber-Armstrong, W.; Silva, R.; Decatur, S. M.; Keiderling, T. A. Nature of Vibrational Coupling in Helical Peptides: An Isotopic Labeling Study J. Am. Chem. Soc. 2004, 126, 2346-2354
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 2346-2354
-
-
Huang, R.1
Kubelka, J.2
Barber-Armstrong, W.3
Silva, R.4
Decatur, S.M.5
Keiderling, T.A.6
-
4
-
-
33645517136
-
Elucidation of Residue-Level Structure and Dynamics of Polypeptides via Isotope-Edited Infrared Spectroscopy
-
Decatur, S. M. Elucidation of Residue-Level Structure and Dynamics of Polypeptides via Isotope-Edited Infrared Spectroscopy Acc. Chem. Res. 2006, 39, 169-175
-
(2006)
Acc. Chem. Res.
, vol.39
, pp. 169-175
-
-
Decatur, S.M.1
-
5
-
-
33947413082
-
Residue Specific Resolution of Protein Folding Dynamics Using Isotope-Edited Infrared Temperature Jump Spectroscopy
-
Brewer, S. H.; Song, B.; Raleigh, D. P.; Dyer, R. B. Residue Specific Resolution of Protein Folding Dynamics Using Isotope-Edited Infrared Temperature Jump Spectroscopy Biochemistry 2007, 46, 3279-3285
-
(2007)
Biochemistry
, vol.46
, pp. 3279-3285
-
-
Brewer, S.H.1
Song, B.2
Raleigh, D.P.3
Dyer, R.B.4
-
6
-
-
84884323452
-
Gaining Insight into Membrane Protein Structure Using Isotope-Edited FTIR
-
Manor, J.; Arkin, I. T. Gaining Insight into Membrane Protein Structure Using Isotope-Edited FTIR Biochim. Biophys. Acta 2013, 1828, 2256-2264
-
(2013)
Biochim. Biophys. Acta
, vol.1828
, pp. 2256-2264
-
-
Manor, J.1
Arkin, I.T.2
-
7
-
-
0023008334
-
Vibrational Spectroscopy and Conformation of Peptides, Polypeptides, and Proteins
-
Krimm, S.; Bandekar, J. Vibrational Spectroscopy and Conformation of Peptides, Polypeptides, and Proteins Adv. Protein Chem. 1986, 38, 181-364
-
(1986)
Adv. Protein Chem.
, vol.38
, pp. 181-364
-
-
Krimm, S.1
Bandekar, J.2
-
8
-
-
0036880493
-
What Vibrations Tell about Proteins
-
Barth, A.; Zscherp, C. What Vibrations Tell about Proteins Q. Rev. Biophys. 2002, 35, 369-430
-
(2002)
Q. Rev. Biophys.
, vol.35
, pp. 369-430
-
-
Barth, A.1
Zscherp, C.2
-
9
-
-
0034818192
-
Isotope-Edited Two-Dimensional Vibrational Spectroscopy of Trialanine in Aqueous Solution
-
Woutersen, S.; Hamm, P. Isotope-Edited Two-Dimensional Vibrational Spectroscopy of Trialanine in Aqueous Solution J. Chem. Phys. 2001, 114, 2727-2737
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 2727-2737
-
-
Woutersen, S.1
Hamm, P.2
-
10
-
-
0043268791
-
Peptide Structure Determination by Two-Dimensional Infrared Spectroscopy in the Presence of Homogeneous and Inhomogeneous Broadening
-
Bredenbeck, J.; Hamm, P. Peptide Structure Determination by Two-Dimensional Infrared Spectroscopy in the Presence of Homogeneous and Inhomogeneous Broadening J. Chem. Phys. 2003, 119, 1569-1578
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 1569-1578
-
-
Bredenbeck, J.1
Hamm, P.2
-
12
-
-
24644433652
-
Amide i IR, VCD, and 2D IR Spectra of Isotope-Labeled α-Helix in Liquid Water: Numerical Simulation Studies
-
Choi, J.-H.; Hahn, S.; Cho, M. Amide I IR, VCD, and 2D IR Spectra of Isotope-Labeled α-Helix in Liquid Water: Numerical Simulation Studies Int. J. Quantum Chem. 2005, 104, 616-634
-
(2005)
Int. J. Quantum Chem.
, vol.104
, pp. 616-634
-
-
Choi, J.-H.1
Hahn, S.2
Cho, M.3
-
13
-
-
33750939049
-
Amide Vibrations Are Delocalized across the Hydrophobic Interface of a Transmembrane Helix Dimer
-
Fang, C.; Senes, A.; Cristian, L.; DeGrado, W. F.; Hochstrasser, R. M. Amide Vibrations Are Delocalized across the Hydrophobic Interface of a Transmembrane Helix Dimer Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 16740-16745
-
(2006)
Proc. Natl. Acad. Sci. U.S.A.
, vol.103
, pp. 16740-16745
-
-
Fang, C.1
Senes, A.2
Cristian, L.3
Degrado, W.F.4
Hochstrasser, R.M.5
-
14
-
-
33845918731
-
Water Penetration into Protein Secondary Structure Revealed by Hydrogen-Deuterium Exchange Two-Dimensional Infrared Spectroscopy
-
DeFlores, L. P.; Tokmakoff, A. Water Penetration into Protein Secondary Structure Revealed by Hydrogen-Deuterium Exchange Two-Dimensional Infrared Spectroscopy J. Am. Chem. Soc. 2006, 128, 16520-16521
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 16520-16521
-
-
Deflores, L.P.1
Tokmakoff, A.2
-
15
-
-
35648955156
-
Probing Local Structural Events in β-Hairpin Unfolding with Transient Nonlinear Infrared Spectroscopy
-
Smith, A. W.; Tokmakoff, A. Probing Local Structural Events in β-Hairpin Unfolding with Transient Nonlinear Infrared Spectroscopy Angew. Chem., Int. Ed. 2007, 46, 7984-7987
-
(2007)
Angew. Chem., Int. Ed.
, vol.46
, pp. 7984-7987
-
-
Smith, A.W.1
Tokmakoff, A.2
-
16
-
-
45549085028
-
Two-Dimensional Infrared Spectra of Isotopically Diluted Amyloid Fibrils from Aβ40
-
Kim, Y. S.; Liu, L.; Axelsen, P. H.; Hochstrasser, R. M. Two-Dimensional Infrared Spectra of Isotopically Diluted Amyloid Fibrils from Aβ40 Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 7720-7725
-
(2008)
Proc. Natl. Acad. Sci. U.S.A.
, vol.105
, pp. 7720-7725
-
-
Kim, Y.S.1
Liu, L.2
Axelsen, P.H.3
Hochstrasser, R.M.4
-
18
-
-
70349249452
-
Toward Detecting the Formation of a Single Helical Turn by 2D IR Cross Peaks between the Amide-I and -II Modes
-
Maekawa, H.; De Poli, M.; Moretto, A.; Toniolo, C.; Ge, N.-H. Toward Detecting the Formation of a Single Helical Turn by 2D IR Cross Peaks between the Amide-I and -II Modes J. Phys. Chem. B 2009, 113, 11775-11786
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 11775-11786
-
-
Maekawa, H.1
De Poli, M.2
Moretto, A.3
Toniolo, C.4
Ge, N.-H.5
-
19
-
-
77649318852
-
2D IR Line Shapes Probe Ovispirin Peptide Conformation and Depth in Lipid Bilayers
-
Woys, A. M.; Lin, Y.-S.; Reddy, A. S.; Xiong, W.; de Pablo, J. J.; Skinner, J. L.; Zanni, M. T. 2D IR Line Shapes Probe Ovispirin Peptide Conformation and Depth in Lipid Bilayers J. Am. Chem. Soc. 2010, 132, 2832-2838
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 2832-2838
-
-
Woys, A.M.1
Lin, Y.-S.2
Reddy, A.S.3
Xiong, W.4
De Pablo, J.J.5
Skinner, J.L.6
Zanni, M.T.7
-
20
-
-
84869811157
-
Three-Dimensional Structures by Two-Dimensional Vibrational Spectroscopy
-
Remorino, A.; Hochstrasser, R. M. Three-Dimensional Structures by Two-Dimensional Vibrational Spectroscopy Acc. Chem. Res. 2012, 45, 1896-1905
-
(2012)
Acc. Chem. Res.
, vol.45
, pp. 1896-1905
-
-
Remorino, A.1
Hochstrasser, R.M.2
-
21
-
-
76249097184
-
Comparative Study of Electrostatic Models for the Amide-I and -II Modes: Linear and Two-Dimensional Infrared Spectra
-
Maekawa, H.; Ge, N.-H. Comparative Study of Electrostatic Models for the Amide-I and -II Modes: Linear and Two-Dimensional Infrared Spectra J. Phys. Chem. B 2010, 114, 1434-1446
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 1434-1446
-
-
Maekawa, H.1
Ge, N.-H.2
-
23
-
-
79958243048
-
Linear and Two-Dimensional Infrared Spectroscopic Study of the Amide i and II Modes in Fully Extended Peptide Chains
-
Maekawa, H.; Ballano, G.; Toniolo, C.; Ge, N.-H. Linear and Two-Dimensional Infrared Spectroscopic Study of the Amide I and II Modes in Fully Extended Peptide Chains J. Phys. Chem. B 2011, 115, 5168-5182
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 5168-5182
-
-
Maekawa, H.1
Ballano, G.2
Toniolo, C.3
Ge, N.-H.4
-
24
-
-
84996067023
-
α,α-Diethylglycine
-
α,α-Diethylglycine Biopolymers 1988, 27, 357-371
-
(1988)
Biopolymers
, vol.27
, pp. 357-371
-
-
Benedetti, E.1
Barone, V.2
Bavoso, A.3
Di Blasio, B.4
Lelj, F.5
Pavone, V.6
Pedone, C.7
Bonora, G.M.8
Toniolo, C.9
Leplawy, M.T.10
-
25
-
-
84858032412
-
10-Helix Coexistence
-
10-Helix Coexistence Org. Biomol. Chem. 2012, 10, 2413-2421
-
(2012)
Org. Biomol. Chem.
, vol.10
, pp. 2413-2421
-
-
Formaggio, F.1
Crisma, M.2
Ballano, G.3
Peggion, C.4
Venanzi, M.5
Toniolo, C.6
-
26
-
-
84996084594
-
α,α-Diethylglycine
-
α,α-Diethylglycine Biopolymers 1988, 27, 373-379
-
(1988)
Biopolymers
, vol.27
, pp. 373-379
-
-
Toniolo, C.1
Bonora, G.M.2
Bavoso, A.3
Benedetti, E.4
Di Blasio, B.5
Pavone, V.6
Pedone, C.7
Barone, V.8
Lelj, F.9
Leplawy, M.T.10
-
27
-
-
0038286180
-
Dual-Frequency 2D-IR Spectroscopy Heterodyned Photon Echo of the Peptide Bond
-
Rubtsov, I. V.; Wang, J.; Hochstrasser, R. M. Dual-Frequency 2D-IR Spectroscopy Heterodyned Photon Echo of the Peptide Bond Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 5601-5606
-
(2003)
Proc. Natl. Acad. Sci. U.S.A.
, vol.100
, pp. 5601-5606
-
-
Rubtsov, I.V.1
Wang, J.2
Hochstrasser, R.M.3
-
28
-
-
33749615287
-
The Anharmonic Vibrational Potential and Relaxation Pathways of the Amide i and II Modes of N-Methylacetamide
-
DeFlores, L. P.; Ganim, Z.; Ackley, S. F.; Chung, H. S.; Tokmakoff, A. The Anharmonic Vibrational Potential and Relaxation Pathways of the Amide I and II Modes of N-Methylacetamide J. Phys. Chem. B 2006, 110, 18973-18980
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 18973-18980
-
-
Deflores, L.P.1
Ganim, Z.2
Ackley, S.F.3
Chung, H.S.4
Tokmakoff, A.5
-
30
-
-
84055202209
-
α-Disubstituted Amino Acids into Peptide Chain
-
16th (Peptides 1980), Brunfeldt, K. Scriptor Publ. Copenhagen, Denmark
-
α-Disubstituted Amino Acids into Peptide Chain, Proc. Eur. Pept. Symp., 16th (Peptides 1980), Brunfeldt, K., Ed.; Scriptor Publ.: Copenhagen, Denmark, 1981; pp 201-206.
-
(1981)
Proc. Eur. Pept. Symp.
, pp. 201-206
-
-
Kaminski, Z.1
Leplawy, M.T.2
Olma, A.3
Redlinski, A.4
-
31
-
-
11244282266
-
-
10th, Marshall, G. R. Ed, ESCOM, Leiden, The Netherlands
-
α,α -Diethylglycine, Peptides: Chemistry and Biology, Proc. Am. Pept. Symp., 10th, Marshall, G. R., Ed, ESCOM, Leiden, The Netherlands, 1988; 239-241.
-
(1988)
α,α -Diethylglycine, Peptides: Chemistry and Biology, Proc. Am. Pept. Symp.
, pp. 239-241
-
-
Leplawy, M.T.1
Kaczmarek, K.2
Redlinski, A.3
-
32
-
-
33750347591
-
Conformations of N-Acetyl-L-Prolinamide by Two-Dimensional Infrared Spectroscopy
-
Sul, S.; Karaiskaj, D.; Jiang, Y.; Ge, N.-H. Conformations of N-Acetyl-L-Prolinamide by Two-Dimensional Infrared Spectroscopy J. Phys. Chem. B 2006, 110, 19891-19905
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 19891-19905
-
-
Sul, S.1
Karaiskaj, D.2
Jiang, Y.3
Ge, N.-H.4
-
35
-
-
43949143512
-
10-Helical Secondary Structure in Aib Oligopeptides Probed by Coherent 2D IR Spectroscopy
-
10-Helical Secondary Structure in Aib Oligopeptides Probed by Coherent 2D IR Spectroscopy J. Am. Chem. Soc. 2008, 130, 6556-6566
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 6556-6566
-
-
Maekawa, H.1
Formaggio, F.2
Toniolo, C.3
Ge, N.-H.4
-
36
-
-
0035949484
-
Two-Dimensional IR Spectroscopy Can Be Designed to Eliminate the Diagonal Peaks and Expose only the Crosspeaks Needed for Structure Determination
-
Zanni, M. T.; Ge, N.-H.; Kim, Y. S.; Hochstrasser, R. M. Two-Dimensional IR Spectroscopy Can Be Designed to Eliminate the Diagonal Peaks and Expose Only the Crosspeaks Needed for Structure Determination Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 11265-11270
-
(2001)
Proc. Natl. Acad. Sci. U.S.A.
, vol.98
, pp. 11265-11270
-
-
Zanni, M.T.1
Ge, N.-H.2
Kim, Y.S.3
Hochstrasser, R.M.4
-
37
-
-
69549114733
-
Sensitivity of Two-Dimensional Infrared Spectra to Peptide Helicity: A Concerted Experimental and Molecular Dynamics Simulation Study
-
Sengupta, N.; Maekawa, H.; Zhuang, W.; Toniolo, C.; Mukamel, S.; Tobias, D. J.; Ge, N.-H. Sensitivity of Two-Dimensional Infrared Spectra to Peptide Helicity: A Concerted Experimental and Molecular Dynamics Simulation Study J. Phys. Chem. B 2009, 113, 12037-12049
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 12037-12049
-
-
Sengupta, N.1
Maekawa, H.2
Zhuang, W.3
Toniolo, C.4
Mukamel, S.5
Tobias, D.J.6
Ge, N.-H.7
-
38
-
-
0001326710
-
Structure of the Amide i Band of Peptides Measured by Femtosecond Nonlinear-Infrared Spectroscopy
-
Hamm, P.; Lim, M.; Hochstrasser, R. M. Structure of the Amide I Band of Peptides Measured by Femtosecond Nonlinear-Infrared Spectroscopy J. Phys. Chem. B 1998, 102, 6123-6138
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 6123-6138
-
-
Hamm, P.1
Lim, M.2
Hochstrasser, R.M.3
-
39
-
-
70450206724
-
-
Revision C.01; Gaussian, Inc. Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Gaussian 09, Revision C.01; Gaussian, Inc.: Wallingford, CT, 2010.
-
(2010)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
40
-
-
0033515394
-
A New ONIOM Implementation in Gaussian98. Part I. The Calculation of Energies, Gradients, Vibrational Frequencies and Electric Field Derivatives
-
Dapprich, S.; Komáromi, I.; Byun, K. S.; Morokuma, K.; Frisch, M. J. A New ONIOM Implementation in Gaussian98. Part I. The Calculation of Energies, Gradients, Vibrational Frequencies and Electric Field Derivatives J. Mol. Struct. Theochem. 1999, 461-462, 1-21
-
(1999)
J. Mol. Struct. Theochem.
, vol.461
, pp. 1-21
-
-
Dapprich, S.1
Komáromi, I.2
Byun, K.S.3
Morokuma, K.4
Frisch, M.J.5
-
41
-
-
57149125449
-
Transferable Specific Scaling Factors for Interpretation of Infrared Spectra of Biomolecules from Density Functional Theory
-
Bouteiller, Y.; Gillet, J.-C.; Grégoire, G.; Schermann, J. P. Transferable Specific Scaling Factors for Interpretation of Infrared Spectra of Biomolecules from Density Functional Theory J. Phys. Chem. A 2008, 112, 11656-11660
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 11656-11660
-
-
Bouteiller, Y.1
Gillet, J.-C.2
Grégoire, G.3
Schermann, J.P.4
-
42
-
-
33746813977
-
Modeling the Amide i Bands of Small Peptides
-
Jansen, T. l. C.; Dijkstra, A. G.; Watson, T. M.; Hirst, J. D.; Knoester, J. Modeling the Amide I Bands of Small Peptides J. Chem. Phys. 2006, 125, 044312
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 044312
-
-
Jansen L. T, C.1
Dijkstra, A.G.2
Watson, T.M.3
Hirst, J.D.4
Knoester, J.5
-
43
-
-
0036088423
-
Coupling of the Amide i Modes of the Glycine Dipeptide
-
Hamm, P.; Woutersen, S. Coupling of the Amide I Modes of the Glycine Dipeptide Bull. Chem. Soc. Jpn. 2002, 75, 985-988
-
(2002)
Bull. Chem. Soc. Jpn.
, vol.75
, pp. 985-988
-
-
Hamm, P.1
Woutersen, S.2
-
44
-
-
33847696560
-
Amide i Two-Dimensional Infrared Spectroscopy of β-Hairpin Peptides
-
Smith, W. S.; Tokmakoff, A. Amide I Two-Dimensional Infrared Spectroscopy of β-Hairpin Peptides J. Chem. Phys. 2007, 126, 045109
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 045109
-
-
Smith, W.S.1
Tokmakoff, A.2
-
45
-
-
19944365233
-
Collective Oscillations and the Linear and Two-Dimensional Infrared Spectra of Inhomogeneous β-Sheets
-
Dijkstra, A. G.; Knoester, J. Collective Oscillations and the Linear and Two-Dimensional Infrared Spectra of Inhomogeneous β-Sheets J. Phys. Chem. B 2005, 109, 9787-9798
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 9787-9798
-
-
Dijkstra, A.G.1
Knoester, J.2
-
46
-
-
0028119831
-
Extraordinary Helicity in Short Peptides via End Capping Design
-
Forood, B.; Reddy, H. K.; Nambiar, K. P. Extraordinary Helicity in Short Peptides via End Capping Design J. Am. Chem. Soc. 1994, 116, 6935-6936
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 6935-6936
-
-
Forood, B.1
Reddy, H.K.2
Nambiar, K.P.3
-
48
-
-
84855440255
-
Mechanism of the Secondary Structure Dependence of the Infrared Intensity of the Amide II Mode of Peptide Chains
-
Torii, H. Mechanism of the Secondary Structure Dependence of the Infrared Intensity of the Amide II Mode of Peptide Chains J. Phys. Chem. Lett. 2012, 3, 112-116
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 112-116
-
-
Torii, H.1
-
49
-
-
84860682868
-
A Solvent-Dependent Peptide Spring Unraveled by 2D-NMR
-
Peggion, C.; Crisma, M.; Toniolo, C.; Formaggio, F. A Solvent-Dependent Peptide Spring Unraveled by 2D-NMR Tetrahedron 2012, 68, 4429-4433
-
(2012)
Tetrahedron
, vol.68
, pp. 4429-4433
-
-
Peggion, C.1
Crisma, M.2
Toniolo, C.3
Formaggio, F.4
-
50
-
-
10044226860
-
Molecular Configuration and Interactions of the Amide Group-I: Solvent Effects on Vibrational Frequencies
-
Cutmore, E. A.; Hallam, H. E. Molecular Configuration and Interactions of the Amide Group-I: Solvent Effects on Vibrational Frequencies Spectrochim. Acta, Part A 1969, 25, 1767-1784
-
(1969)
Spectrochim. Acta, Part A
, vol.25
, pp. 1767-1784
-
-
Cutmore, E.A.1
Hallam, H.E.2
-
51
-
-
84901486872
-
α,α-Diethylglycine Homo-Oligomers
-
α,α-Diethylglycine Homo-Oligomers Biopolymers 2013, 100, 51-63
-
(2013)
Biopolymers
, vol.100
, pp. 51-63
-
-
Lettieri, R.1
Bischetti, M.2
Gatto, E.3
Palleschi, A.4
Ricci, E.5
Formaggio, F.6
Crisma, M.7
Toniolo, C.8
Venanzi, M.9
-
52
-
-
0000670923
-
Structure of Poly-L-Proline
-
Cowan, P. M.; McGavin, S. Structure of Poly-L-Proline Nature 1955, 176, 501-503
-
(1955)
Nature
, vol.176
, pp. 501-503
-
-
Cowan, P.M.1
McGavin, S.2
-
53
-
-
17244367197
-
New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple- Basis Set 6-311+G(d,p)
-
Andersson, M. P.; Uvdal, P. New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple- Basis Set 6-311+G(d,p) J. Phys. Chem. A 2005, 109, 2937-2941
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 2937-2941
-
-
Andersson, M.P.1
Uvdal, P.2
-
54
-
-
0011083273
-
Harmonic Vibrational Frequencies: An Evaluation of Hartree-Fock, Møller-Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
-
Scott, A. P.; Radom, L. Harmonic Vibrational Frequencies: An Evaluation of Hartree-Fock, Møller-Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors J. Phys. Chem. 1996, 100, 16502-16513
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16502-16513
-
-
Scott, A.P.1
Radom, L.2
|