-
1
-
-
0343961662
-
Metabolism of Cesium-137 in Rats and Farm Animals
-
Hood, S. L.; Comar, C. L. Metabolism of Cesium-137 in Rats and Farm Animals Arch. Biochem. Biophys. 1953, 45, 423-433
-
(1953)
Arch. Biochem. Biophys.
, vol.45
, pp. 423-433
-
-
Hood, S.L.1
Comar, C.L.2
-
2
-
-
0014244787
-
Transport of Caesium in Frog Muscle
-
Beauge, L. A.; Sjodin, R. A. Transport of Caesium in Frog Muscle J. Physiol. 1968, 194, 105-123
-
(1968)
J. Physiol.
, vol.194
, pp. 105-123
-
-
Beauge, L.A.1
Sjodin, R.A.2
-
4
-
-
0024535492
-
Rubidium Ions and the Gating of Delayed Rectifier Potassium Channels of Frog Skeletal Muscle
-
Spruce, A. E.; Standen, N. B.; Stanfield, P. R. Rubidium Ions and the Gating of Delayed Rectifier Potassium Channels of Frog Skeletal Muscle J. Physiol. 1989, 411, 597-610
-
(1989)
J. Physiol.
, vol.411
, pp. 597-610
-
-
Spruce, A.E.1
Standen, N.B.2
Stanfield, P.R.3
-
5
-
-
0342504612
-
Cation Accumulation by Muscle Tissue: The Displacement of Potassium by Rubidium and Cesium in the Living Animal
-
Relman, S. R.; Lambie, A. T.; Burrows, B. A.; Roy, A. M. Cation Accumulation by Muscle Tissue: the Displacement of Potassium by Rubidium and Cesium in the Living Animal J. Clin. Invest. 1957, 36, 1249-1256
-
(1957)
J. Clin. Invest.
, vol.36
, pp. 1249-1256
-
-
Relman, S.R.1
Lambie, A.T.2
Burrows, B.A.3
Roy, A.M.4
-
6
-
-
0018894283
-
Retention and Excretion of Radionuclides of the Alkali Metals by Five Mammalian Species
-
Richmond, C. R. Retention and Excretion of Radionuclides of the Alkali Metals by Five Mammalian Species Health Phys. 1980, 38, 1111-1153
-
(1980)
Health Phys.
, vol.38
, pp. 1111-1153
-
-
Richmond, C.R.1
-
8
-
-
34648833598
-
Cesium Cation Affinities and Basicities
-
Gal, J.-F.; Maria, P.-C.; Massi, L.; Mayeux, C.; Burk, P.; Tammiku-Taul, J. Cesium Cation Affinities and Basicities Int. J. Mass Spectrom. 2007, 267, 7-23
-
(2007)
Int. J. Mass Spectrom.
, vol.267
, pp. 7-23
-
-
Gal, J.-F.1
Maria, P.-C.2
Massi, L.3
Mayeux, C.4
Burk, P.5
Tammiku-Taul, J.6
-
9
-
-
11244284206
-
A Thermodynamic "vocabulary" for Metal Ion Interactions in Biological Systems
-
Rodgers, M. T.; Armentrout, P. B. A Thermodynamic "Vocabulary" for Metal Ion Interactions in Biological Systems Acc. Chem. Res. 2004, 37, 989-998
-
(2004)
Acc. Chem. Res.
, vol.37
, pp. 989-998
-
-
Rodgers, M.T.1
Armentrout, P.B.2
-
10
-
-
7744232158
-
+ with the Aromatic Amino Acids, Phenylalanine, Tyrosine and Tryptophan
-
+ with the Aromatic Amino Acids, Phenylalanine, Tyrosine and Tryptophan J. Am. Chem. Soc. 2004, 126, 14600-14610
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 14600-14610
-
-
Ruan, C.1
Rodgers, M.T.2
-
11
-
-
67349250889
-
An Experimental and Theoretical Study of Alkali Metal Cation/Methionine Interactions
-
Armentrout, P. B.; Gabriel, A.; Moision, R. M. An Experimental and Theoretical Study of Alkali Metal Cation/Methionine Interactions Int. J. Mass Spectrom. 2009, 283, 56-68
-
(2009)
Int. J. Mass Spectrom.
, vol.283
, pp. 56-68
-
-
Armentrout, P.B.1
Gabriel, A.2
Moision, R.M.3
-
12
-
-
84870854000
-
Thermochemistry of Alkali Metal Cation Interactions with Histidine: Influence of the Side-Chain
-
Armentrout, P. B.; Citir, M.; Chen, Y.; Rodgers, M. T. Thermochemistry of Alkali Metal Cation Interactions with Histidine: Influence of the Side-Chain J. Phys. Chem. A 2012, 116, 11823-11832
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 11823-11832
-
-
Armentrout, P.B.1
Citir, M.2
Chen, Y.3
Rodgers, M.T.4
-
13
-
-
0037206767
-
An Experimental and Theoretical Dissection of Sodium Cation/Glycine Interactions
-
Moision, R. M.; Armentrout, P. B. An Experimental and Theoretical Dissection of Sodium Cation/Glycine Interactions J. Phys. Chem. A 2002, 106, 10350-10362
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 10350-10362
-
-
Moision, R.M.1
Armentrout, P.B.2
-
14
-
-
3042606432
-
An Experimental and Theoretical Dissection of Potassium Cation/Glycine Interactions
-
Moision, R. M.; Armentrout, P. B. An Experimental and Theoretical Dissection of Potassium Cation/Glycine Interactions Phys. Chem. Chem. Phys. 2004, 6, 2588-2599
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 2588-2599
-
-
Moision, R.M.1
Armentrout, P.B.2
-
15
-
-
34648816520
-
A Critical Evaluation of the Experimental and Theoretical Determination of Lithium Cation Affinities
-
Rodgers, M. T.; Armentrout, P. B. A Critical Evaluation of the Experimental and Theoretical Determination of Lithium Cation Affinities Int. J. Mass Spectrom. 2007, 267, 167-182
-
(2007)
Int. J. Mass Spectrom.
, vol.267
, pp. 167-182
-
-
Rodgers, M.T.1
Armentrout, P.B.2
-
16
-
-
77949838309
-
+ to Gly, Ser, Thr, and Pro
-
+ to Gly, Ser, Thr, and Pro J. Phys. Chem. B 2010, 114, 4107-4114
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 4107-4114
-
-
Bowman, V.N.1
Heaton, A.L.2
Armentrout, P.B.3
-
17
-
-
84860304768
-
+ to Gly, Pro, Ser, Thr, and Cys
-
+ to Gly, Pro, Ser, Thr, and Cys J. Phys. Chem. A 2012, 116, 3989-3999
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 3989-3999
-
-
Armentrout, P.B.1
Chen, Y.2
Rodgers, M.T.3
-
18
-
-
33645669352
-
The Special Five-membered Ring of Proline: An Experimental and Theoretical Investigation of Alkali Metal Cation Interactions with Proline and Its Four- and Six-membered Ring Analogues
-
Moision, R. M.; Armentrout, P. B. The Special Five-membered Ring of Proline: An Experimental and Theoretical Investigation of Alkali Metal Cation Interactions with Proline and Its Four- and Six-membered Ring Analogues J. Phys. Chem. A 2006, 110, 3933-3946
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 3933-3946
-
-
Moision, R.M.1
Armentrout, P.B.2
-
19
-
-
51049092284
-
An Experimental and Theoretical Investigation of Alkali Metal Cation Interactions with Hydroxyl Side Chain Amino Acids
-
Ye, S. J.; Clark, A. A.; Armentrout, P. B. An Experimental and Theoretical Investigation of Alkali Metal Cation Interactions with Hydroxyl Side Chain Amino Acids J. Phys. Chem. B 2008, 112, 10291-10302
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 10291-10302
-
-
Ye, S.J.1
Clark, A.A.2
Armentrout, P.B.3
-
20
-
-
77949780922
-
An Experimental and Theoretical Study of Alkali Metal Cation Interactions with Cysteine
-
Armentrout, P. B.; Armentrout, E. I.; Clark, A. A.; Cooper, T. E.; Stennett, E. M. S.; Carl, D. R. An Experimental and Theoretical Study of Alkali Metal Cation Interactions with Cysteine J. Phys. Chem. B 2010, 114, 3927-3937
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 3927-3937
-
-
Armentrout, P.B.1
Armentrout, E.I.2
Clark, A.A.3
Cooper, T.E.4
Stennett, E.M.S.5
Carl, D.R.6
-
21
-
-
1242269256
-
Vibrational Signature of Charge Solvation vs Salt Bridge Isomers of Sodiated Amino Acids in the Gas Phase
-
Kapota, C.; Lemaire, J.; Maitre, P.; Ohanessian, G. Vibrational Signature of Charge Solvation vs Salt Bridge Isomers of Sodiated Amino Acids in the Gas Phase J. Am. Chem. Soc. 2004, 126, 1836-1842
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 1836-1842
-
-
Kapota, C.1
Lemaire, J.2
Maitre, P.3
Ohanessian, G.4
-
22
-
-
43949101791
-
Infrared Multiphoton Dissociation Spectroscopy of Cationized Serine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation
-
Armentrout, P. B.; Rodgers, M. T.; Oomens, J.; Steill, J. D. Infrared Multiphoton Dissociation Spectroscopy of Cationized Serine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation J. Phys. Chem. A 2008, 112, 2248-2257
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 2248-2257
-
-
Armentrout, P.B.1
Rodgers, M.T.2
Oomens, J.3
Steill, J.D.4
-
23
-
-
41649093191
-
Infrared Multiphoton Dissociation Spectroscopy of Cationized Threonine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation
-
Rodgers, M. T.; Armentrout, P. B.; Oomens, J.; Steill, J. D. Infrared Multiphoton Dissociation Spectroscopy of Cationized Threonine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation J. Phys. Chem. A 2008, 112, 2258-2267
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 2258-2267
-
-
Rodgers, M.T.1
Armentrout, P.B.2
Oomens, J.3
Steill, J.D.4
-
24
-
-
78049307927
-
Infrared Multiple Photon Dissociation Spectroscopy of Cationized Cysteine: Effects of Metal Cation Size on Gas-Phase Conformation
-
Citir, M.; Stennett, E. M. S.; Oomens, J.; Steill, J. D.; Rodgers, M. T.; Armentrout, P. B. Infrared Multiple Photon Dissociation Spectroscopy of Cationized Cysteine: Effects of Metal Cation Size on Gas-Phase Conformation Int. J. Mass Spectrom. 2010, 297, 9-17
-
(2010)
Int. J. Mass Spectrom.
, vol.297
, pp. 9-17
-
-
Citir, M.1
Stennett, E.M.S.2
Oomens, J.3
Steill, J.D.4
Rodgers, M.T.5
Armentrout, P.B.6
-
25
-
-
77950204648
-
Infrared Multiple Photon Dissociation Spectroscopy of Cationized Methionine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation
-
Carl, D. R.; Cooper, T. E.; Oomens, J.; Steill, J. D.; Armentrout, P. B. Infrared Multiple Photon Dissociation Spectroscopy of Cationized Methionine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation Phys. Chem. Chem. Phys. 2010, 12, 3384-3398
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 3384-3398
-
-
Carl, D.R.1
Cooper, T.E.2
Oomens, J.3
Steill, J.D.4
Armentrout, P.B.5
-
26
-
-
66149127304
-
Infrared Multiphoton Dissociation Spectroscopy of Cationized Asparagine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation
-
Heaton, A. L.; Bowman, V. N.; Oomens, J.; Steill, J. D.; Armentrout, P. B. Infrared Multiphoton Dissociation Spectroscopy of Cationized Asparagine: Effects of Alkali-Metal Cation Size on Gas-Phase Conformation J. Phys. Chem. A 2009, 113, 5519-5530
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 5519-5530
-
-
Heaton, A.L.1
Bowman, V.N.2
Oomens, J.3
Steill, J.D.4
Armentrout, P.B.5
-
27
-
-
84857303612
-
Infrared Multiple Photon Dissociation Spectroscopy of Cationized Histidine: Effects of Metal Cation Size on Gas-Phase Conformation
-
Citir, M.; Hinton, C. S.; Oomens, J.; Steill, J. D.; Armentrout, P. B. Infrared Multiple Photon Dissociation Spectroscopy of Cationized Histidine: Effects of Metal Cation Size on Gas-Phase Conformation J. Phys. Chem. A 2012, 116, 1532-1541
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 1532-1541
-
-
Citir, M.1
Hinton, C.S.2
Oomens, J.3
Steill, J.D.4
Armentrout, P.B.5
-
28
-
-
37049036339
-
Infrared Spectroscopy of Arginine Cation Complexes: Direct Observation of Gas-Phase Zwitterions
-
Forbes, M. W.; Bush, M. F.; Polfer, N. C.; Oomens, J.; Dunbar, R. C.; Williams, E. R.; Jockusch, R. A. Infrared Spectroscopy of Arginine Cation Complexes: Direct Observation of Gas-Phase Zwitterions J. Phys. Chem. A 2007, 111, 11759-11770
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11759-11770
-
-
Forbes, M.W.1
Bush, M.F.2
Polfer, N.C.3
Oomens, J.4
Dunbar, R.C.5
Williams, E.R.6
Jockusch, R.A.7
-
29
-
-
33745077700
-
IRMPD Spectroscopy of Metal-Ion/Tryptophan Complexes
-
Polfer, N. C.; Oomens, J.; Dunbar, R. C. IRMPD Spectroscopy of Metal-Ion/Tryptophan Complexes Phys. Chem. Chem. Phys. 2006, 8, 2744-2751
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 2744-2751
-
-
Polfer, N.C.1
Oomens, J.2
Dunbar, R.C.3
-
30
-
-
77958100859
-
Cationized Phenylalanine Conformations Characterized by IRMPD and Computation for Singly and Doubly Charged Ions
-
Dunbar, R. C.; Steill, J. D.; Oomens, J. Cationized Phenylalanine Conformations Characterized by IRMPD and Computation for Singly and Doubly Charged Ions Phys. Chem. Chem. Phys. 2010, 12, 13383-13393
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 13383-13393
-
-
Dunbar, R.C.1
Steill, J.D.2
Oomens, J.3
-
31
-
-
20444477872
-
Infrared Fingerprint Spectroscopy and Theoretical Studies of Potassium Ion Tagged Amino Acids and Peptides in the Gas Phase
-
Polfer, N. C.; Paizs, B.; Snoek, L. C.; Compagnon, I.; Suhai, S.; Meijer, G.; von Helden, G.; Oomens, J. Infrared Fingerprint Spectroscopy and Theoretical Studies of Potassium Ion Tagged Amino Acids and Peptides in the Gas Phase J. Am. Chem. Soc. 2005, 127, 8571-8579
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 8571-8579
-
-
Polfer, N.C.1
Paizs, B.2
Snoek, L.C.3
Compagnon, I.4
Suhai, S.5
Meijer, G.6
Von Helden, G.7
Oomens, J.8
-
32
-
-
0035818138
-
Substituent Effects in the Binding of Alkali Metal Ions to Pyridines Studied by Threshold Collision-Induced Dissociation and Ab Initio Theory: The Methylpyridines
-
Rodgers, M. T. Substituent Effects in the Binding of Alkali Metal Ions to Pyridines Studied by Threshold Collision-Induced Dissociation and Ab Initio Theory: The Methylpyridines J. Phys. Chem. A 2001, 105, 2374-2383
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 2374-2383
-
-
Rodgers, M.T.1
-
33
-
-
34248588169
-
An Electrospray Source for Thermochemical Investigation with the Guided Ion Beam Mass Spectrometer
-
Moision, R. M.; Armentrout, P. B. An Electrospray Source for Thermochemical Investigation with the Guided Ion Beam Mass Spectrometer J. Am. Soc. Mass Spectrom. 2007, 18, 1124-1134
-
(2007)
J. Am. Soc. Mass Spectrom.
, vol.18
, pp. 1124-1134
-
-
Moision, R.M.1
Armentrout, P.B.2
-
34
-
-
44949215850
-
Absolute Thermodynamic Measurements of Alkali Metal Cation Interactions with a Simple Dipeptide and Tripeptide
-
Ye, S. J.; Armentrout, P. B. Absolute Thermodynamic Measurements of Alkali Metal Cation Interactions with a Simple Dipeptide and Tripeptide J. Phys. Chem. A 2008, 112, 3587-3596
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 3587-3596
-
-
Ye, S.J.1
Armentrout, P.B.2
-
35
-
-
43049085245
-
Experimental and Theoretical Studies of Sodium Cation Interactions with the Acidic Amino Acids and Their Amide Derivatives
-
Heaton, A. L.; Moision, R. M.; Armentrout, P. B. Experimental and Theoretical Studies of Sodium Cation Interactions with the Acidic Amino Acids and Their Amide Derivatives J. Phys. Chem. A 2008, 112, 3319-3327
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 3319-3327
-
-
Heaton, A.L.1
Moision, R.M.2
Armentrout, P.B.3
-
37
-
-
84863011402
-
Structural and Energetic Effects in the Molecular Recognition of Protonated Peptidomimetic Bases by 18-Crown-6
-
Chen, Y.; Rodgers, M. T. Structural and Energetic Effects in the Molecular Recognition of Protonated Peptidomimetic Bases by 18-Crown-6 J. Am. Chem. Soc. 2012, 134, 2313-2324
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 2313-2324
-
-
Chen, Y.1
Rodgers, M.T.2
-
38
-
-
84859357286
-
Structural and Energetic Effects in the Molecular Recognition of Amino Acids by 18-Crown-6
-
Chen, Y.; Rodgers, M. T. Structural and Energetic Effects in the Molecular Recognition of Amino Acids by 18-Crown-6 J. Am. Chem. Soc. 2012, 134, 5863-5875
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 5863-5875
-
-
Chen, Y.1
Rodgers, M.T.2
-
39
-
-
0001572945
-
Collision Induced Dissociation of Vanadium Monoxide Ion
-
Aristov, N.; Armentrout, P. B. Collision Induced Dissociation of Vanadium Monoxide Ion J. Phys. Chem. 1986, 90, 5135-5140
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 5135-5140
-
-
Aristov, N.1
Armentrout, P.B.2
-
41
-
-
36849118784
-
Scintillation Type Mass Spectrometer Ion Detector
-
Daly, N. R. Scintillation Type Mass Spectrometer Ion Detector Rev. Sci. Instrum. 1960, 31, 264-267
-
(1960)
Rev. Sci. Instrum.
, vol.31
, pp. 264-267
-
-
Daly, N.R.1
-
44
-
-
0000595966
-
+, x = 1-6
-
+, x = 1-6 J. Phys. Chem. 1993, 97, 7978-7987
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 7978-7987
-
-
Khan, F.A.1
Clemmer, D.E.2
Schultz, R.H.3
Armentrout, P.B.4
-
45
-
-
0031101986
-
Statistical Modeling of Collision-induced Dissociation Thresholds
-
Rodgers, M. T.; Ervin, K. M.; Armentrout, P. B. Statistical Modeling of Collision-induced Dissociation Thresholds J. Chem. Phys. 1997, 106, 4499-4508
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 4499-4508
-
-
Rodgers, M.T.1
Ervin, K.M.2
Armentrout, P.B.3
-
46
-
-
55249087892
-
Statistical Rate Theory and Kinetic Energy-Resolved Ion Chemistry - Theory and Applications
-
Armentrout, P. B.; Ervin, K. M.; Rodgers, M. T. Statistical Rate Theory and Kinetic Energy-Resolved Ion Chemistry-Theory and Applications J. Phys. Chem. A 2008, 112, 10071-10085
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 10071-10085
-
-
Armentrout, P.B.1
Ervin, K.M.2
Rodgers, M.T.3
-
47
-
-
70450206724
-
-
Revision A.02; Gaussian Inc. Pittsburgh, PA
-
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 A.02; Gaussian Inc.; Pittsburgh, PA, 2009.
-
(2009)
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
-
49
-
-
0034249010
-
+ to Aromatic Amino Acids: A Density Functional Computational Study of Cation-π Interactions
-
+ to Aromatic Amino Acids: A Density Functional Computational Study of Cation-π Interactions J. Phys. Chem. A 2000, 104, 8067-8074
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 8067-8074
-
-
Dunbar, R.C.1
-
50
-
-
0000189651
-
Density-functional Thermochemistry. III. the Role of Exact Exchange
-
Becke, A. D. Density-functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
51
-
-
0345491105
-
Development of the Colle-Salvetti Correlation-energy Formula into a Functional of the Electron Density
-
Lee, C.; Yang, W.; 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.1
Yang, W.2
Parr, R.G.3
-
52
-
-
84870572335
-
Alkali Metal Cation Interactions with 12-Crown-4 in the Gas Phase: Revisited
-
Armentrout, P. B.; Austin, C. A.; Rodgers, M. T. Alkali Metal Cation Interactions with 12-Crown-4 in the Gas Phase: Revisited Int. J. Mass Spectrom. 2013, 330-332, 16-26
-
(2013)
Int. J. Mass Spectrom.
, vol.330-332
, pp. 16-26
-
-
Armentrout, P.B.1
Austin, C.A.2
Rodgers, M.T.3
-
54
-
-
79955703065
-
Property-optimized Gaussian Basis Sets for Molecular Response Calculations
-
Rappoport, D.; Furche, F. Property-optimized Gaussian Basis Sets for Molecular Response Calculations J. Chem. Phys. 2010, 133, 134105
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 134105
-
-
Rappoport, D.1
Furche, F.2
-
55
-
-
0030583027
-
The Accuracy of the Pseudopotential Approximation: Non-frozen-core Effects for Spectroscopic Constants of Alkali Fluorides XF (X = K, Rb, Cs)
-
Leininger, T.; Nicklass, A.; Kuechle, W.; Stoll, H.; Dolg, M.; Bergner, A. The Accuracy of the Pseudopotential Approximation: Non-frozen-core Effects for Spectroscopic Constants of Alkali Fluorides XF (X = K, Rb, Cs) Chem. Phys. Lett. 1996, 255, 274-280
-
(1996)
Chem. Phys. Lett.
, vol.255
, pp. 274-280
-
-
Leininger, T.1
Nicklass, A.2
Kuechle, W.3
Stoll, H.4
Dolg, M.5
Bergner, A.6
-
56
-
-
0001243187
-
The Role of Databases in Support of Computational Chemistry Calculations
-
Feller, D. The Role of Databases in Support of Computational Chemistry Calculations J. Comput. Chem. 1996, 17, 1571-1586
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 1571-1586
-
-
Feller, D.1
-
57
-
-
34250855167
-
Basis Set Exchange: A Community Database for Computational Sciences
-
Schuchardt, K. L.; Didier, B. T.; Elsethagen, T.; Sun, L.; Gurumoorthi, V.; Chase, J.; Li, J.; Windus, T. L. Basis Set Exchange: A Community Database for Computational Sciences J. Chem. Inf. Model. 2007, 47, 1045-1052
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 1045-1052
-
-
Schuchardt, K.L.1
Didier, B.T.2
Elsethagen, T.3
Sun, L.4
Gurumoorthi, V.5
Chase, J.6
Li, J.7
Windus, T.L.8
-
58
-
-
0003422992
-
-
2 nd ed. Gaussian, Inc. Pittsburgh, PA
-
Foresman, J. B.; Frisch, A. E. Exploring Chemistry with Electronic Structure Methods, 2 nd ed.; Gaussian, Inc.: Pittsburgh, PA, 1996.
-
(1996)
Exploring Chemistry with Electronic Structure Methods
-
-
Foresman, J.B.1
Frisch, A.E.2
-
59
-
-
43049141516
-
The M06 Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-class Functionals and 12 Other Functionals
-
Zhao, Y.; Truhlar, D. G. The M06 Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: Two New Functionals and Systematic Testing of Four M06-class Functionals and 12 Other Functionals Theor. Chem. Acc. 2008, 120, 215-241
-
(2008)
Theor. Chem. Acc.
, vol.120
, pp. 215-241
-
-
Zhao, Y.1
Truhlar, D.G.2
-
60
-
-
6944251055
-
Note on an Approximation Treatment for Many-electron Systems
-
Möller, C.; Plesset, M. S. Note on an Approximation Treatment for Many-electron Systems Phys. Rev. 1934, 46, 618-622
-
(1934)
Phys. Rev.
, vol.46
, pp. 618-622
-
-
Möller, C.1
Plesset, M.S.2
-
61
-
-
84890021933
-
The Calculation of Small Molecular Interactions by the Differences of Separate Total Energies. Some Procedures with Reduced Errors
-
Boys, S. F.; Bernardi, R. The Calculation of Small Molecular Interactions by the Differences of Separate Total Energies. Some Procedures with Reduced Errors Mol. Phys. 1970, 19, 553-566
-
(1970)
Mol. Phys.
, vol.19
, pp. 553-566
-
-
Boys, S.F.1
Bernardi, R.2
-
62
-
-
0001246313
-
State of the Art in Counterpoise Theory
-
van Duijneveldt, F. B.; van Duijneveldt-van de Rijdt, J. G. C. M.; van Lenthe, J. H. State of the Art in Counterpoise Theory Chem. Rev. 1994, 94, 1873-1885
-
(1994)
Chem. Rev.
, vol.94
, pp. 1873-1885
-
-
Van Duijneveldt, F.B.1
Van Duijneveldt-Van De Rijdt, J.G.C.M.2
Van Lenthe, J.H.3
-
64
-
-
1542365896
-
An Extended Basis Set Ab Initio Study of Alkali Metal Cation-water Clusters
-
Feller, D.; Glendening, E. D.; Woon, D. E.; Feyereisen, M. W. An Extended Basis Set Ab Initio Study of Alkali Metal Cation-water Clusters J. Chem. Phys. 1995, 103, 3526-3542
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 3526-3542
-
-
Feller, D.1
Glendening, E.D.2
Woon, D.E.3
Feyereisen, M.W.4
-
66
-
-
0034683158
-
An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions
-
McMahon, T. B.; Ohanessian, G. An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions Chem.-Eur. J. 2000, 6, 2931-2941
-
(2000)
Chem. - Eur. J.
, vol.6
, pp. 2931-2941
-
-
McMahon, T.B.1
Ohanessian, G.2
-
67
-
-
27344448074
-
Ab Initio Effective Core Potentials for Molecular Calculations. Potentials for K to Au Including the Outermost Core Orbitals
-
Hay, P. J.; Wadt, W. R. Ab Initio Effective Core Potentials for Molecular Calculations. Potentials for K to Au Including the Outermost Core Orbitals J. Chem. Phys. 1985, 82, 299-310
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 299-310
-
-
Hay, P.J.1
Wadt, W.R.2
-
68
-
-
0028548029
-
An Ab Initio Investigation of the Structure and Alkali Metal Cation Selectivity of 18-Crown-6
-
Glendening, E. D.; Feller, D.; Thompson, M. A. An Ab Initio Investigation of the Structure and Alkali Metal Cation Selectivity of 18-Crown-6 J. Am. Chem. Soc. 1994, 116, 10657-10669
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 10657-10669
-
-
Glendening, E.D.1
Feller, D.2
Thompson, M.A.3
-
69
-
-
0000783322
-
Recent Developments in Applications of RRKM-QET
-
Lifshitz, C. Recent Developments in Applications of RRKM-QET Adv. Mass Spectrom. 1989, 11, 713-729
-
(1989)
Adv. Mass Spectrom.
, vol.11
, pp. 713-729
-
-
Lifshitz, C.1
-
71
-
-
53849112979
-
Experimental and Theoretical Studies of Potassium Cation Interactions with the Acidic Amino Acids and Their Amide Derivatives
-
Heaton, A. L.; Armentrout, P. B. Experimental and Theoretical Studies of Potassium Cation Interactions with the Acidic Amino Acids and Their Amide Derivatives J. Phys. Chem. B 2008, 112, 12056-12065
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 12056-12065
-
-
Heaton, A.L.1
Armentrout, P.B.2
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