-
1
-
-
0037173839
-
An experimental and computational study of the gas-phase structures of five-carbon monosaccharides
-
DOI 10.1021/jp025577c
-
Guler, L. P.; Yu, Y. Q.; Kenttamaa, H. I. An Experimental and Computational Study of the Gas-Phase Structures of Five-Carbon Monosaccharides J. Phys. Chem. A 2002, 106, 6754-6764 (Pubitemid 35382648)
-
(2002)
Journal of Physical Chemistry A
, vol.106
, Issue.29
, pp. 6754-6764
-
-
Guler, L.P.1
Yu, Y.-Q.2
Kenttamaa, H.I.3
-
2
-
-
85073208290
-
-
Shukla, M. K. Leszczynski, J. Springer: New York
-
Shukla, M. K.; Leszczynski, J. In Radiation Induced Molecular Phenomena in Nucleic Acids; Shukla, M. K.; Leszczynski, J., Eds.; Springer: New York, 2008; p 1.
-
(2008)
Radiation Induced Molecular Phenomena in Nucleic Acids
, pp. 1
-
-
Shukla, M.K.1
Leszczynski, J.2
-
3
-
-
77958510962
-
Molecular Level Assessments of Radiation Biodamage
-
Baccarelli, I.; Gianturco, F. A.; Scifoni, E.; Solov'yov, A. V.; Surdutovich, E. Molecular Level Assessments of Radiation Biodamage Eur. Phys. J. D 2010, 60, 1-10
-
(2010)
Eur. Phys. J. D
, vol.60
, pp. 1-10
-
-
Baccarelli, I.1
Gianturco, F.A.2
Scifoni, E.3
Solov'Yov, A.V.4
Surdutovich, E.5
-
4
-
-
2542464082
-
Inelastic Electron Interaction (Attachment/Ionization) with Deoxyribose
-
Ptasinska, S.; Denifl, S.; Scheier, P.; Mark, T. D. Inelastic Electron Interaction (Attachment/Ionization) with Deoxyribose J. Chem. Phys. 2004, 120, 8505-8511
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 8505-8511
-
-
Ptasinska, S.1
Denifl, S.2
Scheier, P.3
Mark, T.D.4
-
5
-
-
79954595342
-
Extreme Ultraviolet Photoionization of Aldoses and Ketoses
-
Shin, J.-W.; Dong, F.; Grisham, M. E.; Rocca, J. J.; Bernstein, E. R. Extreme Ultraviolet Photoionization of Aldoses and Ketoses Chem. Phys. Lett. 2011, 506, 161-166
-
(2011)
Chem. Phys. Lett.
, vol.506
, pp. 161-166
-
-
Shin, J.-W.1
Dong, F.2
Grisham, M.E.3
Rocca, J.J.4
Bernstein, E.R.5
-
6
-
-
48249136163
-
Precise Determination of 2-Deoxy- d -ribose Internal Energies after keV Proton Collisions
-
Alvarado, F.; Bernard, J.; Li, B.; Bredy, R.; Chen, L.; Hoekstra, R.; Martin, S.; Schlatholter, T. Precise Determination of 2-Deoxy- d -ribose Internal Energies after keV Proton Collisions ChemPhysChem 2008, 9, 1254-1258
-
(2008)
ChemPhysChem
, vol.9
, pp. 1254-1258
-
-
Alvarado, F.1
Bernard, J.2
Li, B.3
Bredy, R.4
Chen, L.5
Hoekstra, R.6
Martin, S.7
Schlatholter, T.8
-
7
-
-
0000850661
-
Ab Initio Molecular Orbital Calculations on DNA Radical Ions 0.3. Ionization Potentials and Ionization Sites in Components of the DNA Sugar Phosphate Backbone
-
Colson, A. O.; Besler, B.; Sevilla, M. D. Ab Initio Molecular Orbital Calculations on DNA Radical Ions 0.3. Ionization Potentials and Ionization Sites in Components of the DNA Sugar Phosphate Backbone J. Phys. Chem. 1993, 97, 8092-8097
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 8092-8097
-
-
Colson, A.O.1
Besler, B.2
Sevilla, M.D.3
-
8
-
-
70149096617
-
Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and ab Initio Calculations
-
Slavicek, P.; Winter, B.; Faubel, M.; Bradforth, S. E.; Jungwirth, P. Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and ab Initio Calculations J. Am. Chem. Soc. 2009, 131, 6460-6467
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 6460-6467
-
-
Slavicek, P.1
Winter, B.2
Faubel, M.3
Bradforth, S.E.4
Jungwirth, P.5
-
9
-
-
65449151937
-
Threshold Photoelectron Spectra of Tetrahydrofuran over the Energy Range 9-29 eV
-
Dampc, M.; Mielewska, B.; Siggel-King, M. R. F.; King, G. C.; Zubek, M. Threshold Photoelectron Spectra of Tetrahydrofuran over the Energy Range 9-29 eV Chem. Phys. 2009, 359, 77-81
-
(2009)
Chem. Phys.
, vol.359
, pp. 77-81
-
-
Dampc, M.1
Mielewska, B.2
Siggel-King, M.R.F.3
King, G.C.4
Zubek, M.5
-
10
-
-
77949607672
-
Electron Impact Ionization of Furanose Alcohols
-
Milosavljevic, A. R.; Kocisek, J.; Papp, P.; Kubala, D.; Marinkovic, B. P.; Mach, P.; Urban, J.; Matejcik, S. Electron Impact Ionization of Furanose Alcohols J. Chem. Phys. 2010, 132, 104308-104311
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 104308-104311
-
-
Milosavljevic, A.R.1
Kocisek, J.2
Papp, P.3
Kubala, D.4
Marinkovic, B.P.5
MacH, P.6
Urban, J.7
Matejcik, S.8
-
11
-
-
47549113642
-
Metastable Anion Fragmentations after Resonant Attachment: Deoxyribosic Structures from Quantum Electron Dynamics
-
Baccarelli, I.; Gianturco, F. A.; Grandi, A.; Sanna, N. Metastable Anion Fragmentations after Resonant Attachment: Deoxyribosic Structures from Quantum Electron Dynamics Int. J. Quantum Chem. 2008, 108, 1878-1887
-
(2008)
Int. J. Quantum Chem.
, vol.108
, pp. 1878-1887
-
-
Baccarelli, I.1
Gianturco, F.A.2
Grandi, A.3
Sanna, N.4
-
12
-
-
34249093263
-
Selective bond breaking in β-D-ribose by gas-phase electron attachment around 8 eV
-
DOI 10.1021/ja070542h
-
Baccarelli, I.; Gianturco, F. A.; Grandi, A.; Sanna, N.; Lucchese, R. R.; Bald, I.; Kopyra, J.; Illenberger, E. Selective Bond Breaking in β- d -Ribose by Gas-Phase Electron Attachment around 8 eV J. Am. Chem. Soc. 2007, 129, 6269-6277 (Pubitemid 46786820)
-
(2007)
Journal of the American Chemical Society
, vol.129
, Issue.19
, pp. 6269-6277
-
-
Baccarelli, I.1
Gianturco, F.A.2
Grandi, A.3
Sanna, N.4
Lucchese, R.R.5
Bald, I.6
Kopyra, J.7
Illenberger, E.8
-
13
-
-
43649083041
-
Photofragmentation of 2-Deoxy- d -ribose Molecules in the Gas Phase
-
Vall-Ilosera, G.; Huels, M. A.; Coreno, M.; Kivimaki, A.; Jakubowska, K.; Stankiewicz, M.; Rachlew, E. Photofragmentation of 2-Deoxy- d -ribose Molecules in the Gas Phase ChemPhysChem 2008, 9, 1020-1029
-
(2008)
ChemPhysChem
, vol.9
, pp. 1020-1029
-
-
Vall-Ilosera, G.1
Huels, M.A.2
Coreno, M.3
Kivimaki, A.4
Jakubowska, K.5
Stankiewicz, M.6
Rachlew, E.7
-
14
-
-
33749834322
-
Synthesis of transportation fuels from biomass: Chemistry, catalysts, and engineering
-
DOI 10.1021/cr068360d
-
Huber, G. W.; Iborra, S.; Corma, A. Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering Chem. Rev. 2006, 106, 4044-4098 (Pubitemid 44560464)
-
(2006)
Chemical Reviews
, vol.106
, Issue.9
, pp. 4044-4098
-
-
Huber, G.W.1
Iborra, S.2
Corma, A.3
-
15
-
-
72149099093
-
Kinetics and Mechanism of Cellulose Pyrolysis
-
Lin, Y. C.; Cho, J.; Tompsett, G. A.; Westmoreland, P. R.; Huber, G. W. Kinetics and Mechanism of Cellulose Pyrolysis J. Phys. Chem. C 2009, 113, 20097-20107
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 20097-20107
-
-
Lin, Y.C.1
Cho, J.2
Tompsett, G.A.3
Westmoreland, P.R.4
Huber, G.W.5
-
16
-
-
70349286421
-
Current Technologies for Analysis of Biomass Thermochemical Processing: A Review
-
Bahng, M. K.; Mukarakate, C.; Robichaud, D. J.; Nimlos, M. R. Current Technologies for Analysis of Biomass Thermochemical Processing: A Review Anal. Chim. Acta 2009, 651, 117-138
-
(2009)
Anal. Chim. Acta
, vol.651
, pp. 117-138
-
-
Bahng, M.K.1
Mukarakate, C.2
Robichaud, D.J.3
Nimlos, M.R.4
-
17
-
-
80155143079
-
Desorption Dynamics, Internal Energies, and Imaging of Organic Molecules from Surfaces with Laser Desorption and Vacuum Ultraviolet (VUV) Photoionization
-
Kostko, O.; Takahashi, L. K.; Ahmed, M. Desorption Dynamics, Internal Energies, and Imaging of Organic Molecules from Surfaces with Laser Desorption and Vacuum Ultraviolet (VUV) Photoionization Chem. Asian J. 2011, 6, 3066-3076
-
(2011)
Chem. Asian J.
, vol.6
, pp. 3066-3076
-
-
Kostko, O.1
Takahashi, L.K.2
Ahmed, M.3
-
18
-
-
77951847229
-
Internal Energies of Ion-Sputtered Neutral Tryptophan and Thymine Molecules Determined by Vacuum Ultraviolet Photoionization
-
Zhou, J.; Takahashi, L. K.; Wilson, K. R.; Leone, S. R.; Ahmed, M. Internal Energies of Ion-Sputtered Neutral Tryptophan and Thymine Molecules Determined by Vacuum Ultraviolet Photoionization Anal. Chem. 2010, 82, 3905-3913
-
(2010)
Anal. Chem.
, vol.82
, pp. 3905-3913
-
-
Zhou, J.1
Takahashi, L.K.2
Wilson, K.R.3
Leone, S.R.4
Ahmed, M.5
-
19
-
-
79954621290
-
Vacuum-Ultraviolet Photoionization and Mass Spectrometric Characterization of Lignin Monomers Coniferyl and Sinapyl Alcohols
-
Takahashi, L. K.; Zhou, J.; Kostko, O.; Golan, A.; Leone, S. R.; Ahmed, M. Vacuum-Ultraviolet Photoionization and Mass Spectrometric Characterization of Lignin Monomers Coniferyl and Sinapyl Alcohols J. Phys. Chem. A 2011, 115, 3279-3290
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 3279-3290
-
-
Takahashi, L.K.1
Zhou, J.2
Kostko, O.3
Golan, A.4
Leone, S.R.5
Ahmed, M.6
-
20
-
-
55849117399
-
Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections
-
Chai, J. D.; Head-Gordon, M. Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections Phys. Chem. Chem. Phys. 2008, 10, 6615-6620
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 6615-6620
-
-
Chai, J.D.1
Head-Gordon, M.2
-
22
-
-
79959562988
-
Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk
-
Ghosh, D.; Isayev, O.; Slipchenko, L. V.; Krylov, A. I. Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk J. Phys. Chem. A 2011, 115, 6028-6038
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 6028-6038
-
-
Ghosh, D.1
Isayev, O.2
Slipchenko, L.V.3
Krylov, A.I.4
-
23
-
-
79960193289
-
The Effect of Microhydration on Ionization Energies of Thymine
-
Khistyaev, K.; Bravaya, K. B.; Kamarchik, E.; Kostko, O.; Ahmed, M.; Krylov, A. I. The Effect of Microhydration on Ionization Energies of Thymine Faraday Discuss. 2011, 150, 313-330
-
(2011)
Faraday Discuss.
, vol.150
, pp. 313-330
-
-
Khistyaev, K.1
Bravaya, K.B.2
Kamarchik, E.3
Kostko, O.4
Ahmed, M.5
Krylov, A.I.6
-
24
-
-
78649617504
-
Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra
-
Bravaya, K. B.; Kostko, O.; Dolgikh, S.; Landau, A.; Ahmed, M.; Krylov, A. I. Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra J. Phys. Chem. A 2010, 114, 12305-12317
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 12305-12317
-
-
Bravaya, K.B.1
Kostko, O.2
Dolgikh, S.3
Landau, A.4
Ahmed, M.5
Krylov, A.I.6
-
26
-
-
33746614482
-
Gaussian-Basis Sets for Use in Correlated Molecular Calculations 0.1. The Atoms Boron through Neon and Hydrogen
-
Dunning, T. H. Gaussian-Basis Sets for Use in Correlated Molecular Calculations 0.1. The Atoms Boron through Neon and Hydrogen J. Chem. Phys. 1989, 90, 1007-1023
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007-1023
-
-
Dunning, T.H.1
-
27
-
-
0040344696
-
A Note on the Direct Calculation of Excitation-Energies by Quasi-Degenerate MBPT and Coupled-ClusterTheory
-
Sinha, D.; Mukhopadhyay, S.; Mukherjee, D. A Note on the Direct Calculation of Excitation-Energies by Quasi-Degenerate MBPT and Coupled-ClusterTheory Chem. Phys. Lett. 1986, 129, 369-374
-
(1986)
Chem. Phys. Lett.
, vol.129
, pp. 369-374
-
-
Sinha, D.1
Mukhopadhyay, S.2
Mukherjee, D.3
-
28
-
-
0000094026
-
Multireference Coupled-Cluster Methods Using an Incomplete Model Space - Application to Ionization-Potentials and Excitation-Energies of Formaldehyde
-
Pal, S.; Rittby, M.; Bartlett, R. J.; Sinha, D.; Mukherjee, D. Multireference Coupled-Cluster Methods Using an Incomplete Model Space-Application to Ionization-Potentials and Excitation-Energies of Formaldehyde Chem. Phys. Lett. 1987, 137, 273-278
-
(1987)
Chem. Phys. Lett.
, vol.137
, pp. 273-278
-
-
Pal, S.1
Rittby, M.2
Bartlett, R.J.3
Sinha, D.4
Mukherjee, D.5
-
29
-
-
36448999561
-
Analytic Energy Derivatives for Ionized States Described by the Equation-of-Motion Coupled-Cluster Method
-
Stanton, J. F.; Gauss, J. Analytic Energy Derivatives for Ionized States Described by the Equation-of-Motion Coupled-Cluster Method J. Chem. Phys. 1994, 101, 8938-8944
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 8938-8944
-
-
Stanton, J.F.1
Gauss, J.2
-
30
-
-
50249115112
-
Charge Localization and Jahn-Teller Distortions in the Benzene Dimer Cation
-
Pieniazek, P. A.; Bradforth, S. E.; Krylov, A. I. Charge Localization and Jahn-Teller Distortions in the Benzene Dimer Cation J. Chem. Phys. 2008, 129, 074104-074111
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 074104-074111
-
-
Pieniazek, P.A.1
Bradforth, S.E.2
Krylov, A.I.3
-
31
-
-
37549014315
-
Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: The Hitchhiker's guide to fock space
-
DOI 10.1146/annurev.physchem.59.032607.093602
-
Krylov, A. I. Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space Annu. Rev. Phys. Chem. 2008, 59, 433-462 (Pubitemid 351703394)
-
(2008)
Annual Review of Physical Chemistry
, vol.59
, pp. 433-462
-
-
Krylov, A.I.1
-
32
-
-
36049042222
-
Benchmark Full Configuration Interaction and Equation-of-Motion Coupled-Cluster Model with Single and Double Substitutions for Ionized Systems Results for Prototypical Charge Transfer Systems: Noncovalent Ionized Dimers
-
Pieniazek, P. A.; Arnstein, S. A.; Bradforth, S. E.; Krylov, A. I.; Sherrill, C. D. Benchmark Full Configuration Interaction and Equation-of-Motion Coupled-Cluster Model with Single and Double Substitutions for Ionized Systems Results for Prototypical Charge Transfer Systems: Noncovalent Ionized Dimers J. Chem. Phys. 2007, 127, 164110-164119
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 164110-164119
-
-
Pieniazek, P.A.1
Arnstein, S.A.2
Bradforth, S.E.3
Krylov, A.I.4
Sherrill, C.D.5
-
33
-
-
4243553426
-
Density-Functional Exchange-Energy Approximation with Correct Asymtopic-Behavior
-
Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymtopic-Behavior Phys. Rev. A 1988, 38, 3098-3100
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
34
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron-Density
-
Lee, C. T.; Yang, W. T.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron-Density Phys. Rev. B 1988, 37, 785-789
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
35
-
-
33746563448
-
Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package
-
Shao, Y.; Molnar, L. F.; Jung, Y.; Kussmann, J.; Ochsenfeld, C.; Brown, S. T.; Gilbert, A. T. B.; Slipchenko, L. V.; Levchenko, S. V.; O'Neill, D. P. Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package Phys. Chem. Chem. Phys. 2006, 8, 3172-3191
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 3172-3191
-
-
Shao, Y.1
Molnar, L.F.2
Jung, Y.3
Kussmann, J.4
Ochsenfeld, C.5
Brown, S.T.6
Gilbert, A.T.B.7
Slipchenko, L.V.8
Levchenko, S.V.9
O'Neill, D.P.10
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