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Volume 124,
Issue 5
Volume 124,
Issue 4
Volume 124,
Issue 3
Volume 124,
Issue 2
Volume 123,
Issue 24
Volume 123,
Issue 23
Volume 123,
Issue 22
Volume 123,
Issue 21
Volume 123,
Issue 20
Volume 123,
Issue 19
Volume 123,
Issue 18
Volume 123,
Issue 17
Volume 123,
Issue 16
Volume 123,
Issue 15
Volume 123,
Issue 14
Volume 123,
Issue 13
Volume 123,
Issue 12
Volume 123,
Issue 11
Volume 123,
Issue 10
Volume 123,
Issue 9
Volume 123,
Issue 8
Volume 123,
Issue 7
Volume 123,
Issue 6
Volume 123,
Issue 5
Volume 123,
Issue 4
Volume 123,
Issue 3
Volume 123,
Issue 2
Volume 123,
Issue 1
Volume 122,
Issue 24
Volume 122,
Issue 23
Volume 122,
Issue 22
Volume 122,
Issue 21
Volume 122,
Issue 20
Volume 122,
Issue 19
Volume 122,
Issue 18
Volume 122,
Issue 17
Volume 122,
Issue 16
Volume 122,
Issue 15
Volume 122,
Issue 14
Volume 122,
Issue 13
Volume 122,
Issue 12
Volume 122,
Issue 11
Volume 122,
Issue 10
Volume 122,
Issue 9
Volume 122,
Issue 8
Volume 122,
Issue 7
Volume 122,
Issue 6
Volume 122,
Issue 5
Volume 122,
Issue 4
Volume 122,
Issue 3
Volume 122,
Issue 2
Volume 122,
Issue 1
Volume 121,
Issue 24
Volume 121,
Issue 23
Volume 121,
Issue 22
Volume 121,
Issue 21
Volume 121,
Issue 20
Volume 121,
Issue 19
Volume 121,
Issue 18
Volume 121,
Issue 17
Volume 121,
Issue 16
Volume 121,
Issue 15
Volume 121,
Issue 14
Volume 121,
Issue 13
Volume 121,
Issue 12
Volume 121,
Issue 11
Volume 121,
Issue 10
Volume 121,
Issue 9
Volume 121,
Issue 8
Volume 121,
Issue 7
Volume 121,
Issue 6
Volume 121,
Issue 5
Volume 121,
Issue 3
Volume 121,
Issue 2
Volume 121,
Issue 1
Volume 120,
Issue 23
Volume 120,
Issue 21
Volume 120,
Issue 20
Volume 120,
Issue 18
Volume 120,
Issue 17
Volume 120,
Issue 16
Volume 120,
Issue 15
Volume 120,
Issue 14
Volume 120,
Issue 12
Volume 120,
Issue 11
Volume 120,
Issue 10
Volume 120,
Issue 9
Volume 120,
Issue 8
Volume 120,
Issue 7
Volume 120,
Issue 6
Volume 120,
Issue 5
Volume 120,
Issue 3
Volume 120,
Issue 2
Volume 119,
Issue 24
Volume 119,
Issue 22
Volume 119,
Issue 21
Volume 119,
Issue 20
Volume 119,
Issue 19
Volume 119,
Issue 17
Volume 119,
Issue 15
Volume 119,
Issue 14
Volume 119,
Issue 13
Volume 119,
Issue 11
Volume 119,
Issue 10
Volume 119,
Issue 8
Volume 119,
Issue 7
Volume 119,
Issue 5
Volume 119,
Issue 4
Volume 119,
Issue 3
Volume 119,
Issue 2
Volume 119,
Issue 1
Volume 118,
Issue 24
Volume 118,
Issue 23
Volume 118,
Issue 22
Volume 118,
Issue 21
Volume 118,
Issue 20
Volume 118,
Issue 19
Volume 118,
Issue 17
Volume 118,
Issue 16
Volume 118,
Issue 15
Volume 118,
Issue 14
Volume 118,
Issue 13
Volume 118,
Issue 12
Volume 118,
Issue 11
Volume 118,
Issue 10
Volume 118,
Issue 9
Volume 118,
Issue 8
Volume 118,
Issue 7
Volume 118,
Issue 6
Volume 118,
Issue 5
Volume 118,
Issue 4
Volume 118,
Issue 2
Volume 118,
Issue 1
Volume 117,
Issue 24
Volume 117,
Issue 23
Volume 117,
Issue 22
Volume 117,
Issue 21
Volume 117,
Issue 20
Volume 117,
Issue 19
Volume 117,
Issue 18
Volume 117,
Issue 17
Volume 117,
Issue 16
Volume 117,
Issue 15
Volume 117,
Issue 14
Volume 117,
Issue 13
Volume 117,
Issue 12
Volume 117,
Issue 11
Volume 117,
Issue 10
Volume 117,
Issue 9
Volume 117,
Issue 8
Volume 117,
Issue 7
Volume 117,
Issue 6
Volume 117,
Issue 5
Volume 117,
Issue 4
Volume 117,
Issue 3
Volume 117,
Issue 2
Volume 117,
Issue 1
Volume 116,
Issue 23
Volume 116,
Issue 22
Volume 116,
Issue 21
Volume 116,
Issue 20
Volume 116,
Issue 14
Volume 116,
Issue 13
Volume 116,
Issue 12
Volume 116,
Issue 11
Volume 116,
Issue 9
Volume 116,
Issue 8
Volume 116,
Issue 7
Volume 116,
Issue 6
Volume 116,
Issue 4
Volume 116,
Issue 2
Volume 116,
Issue 1
Volume 115,
Issue 24
Volume 115,
Issue 23
Volume 115,
Issue 22
Volume 115,
Issue 21
Volume 115,
Issue 20
Volume 115,
Issue 19
Volume 115,
Issue 18
Volume 115,
Issue 17
Volume 115,
Issue 16
Volume 115,
Issue 15
Volume 115,
Issue 14
Volume 115,
Issue 13
Volume 115,
Issue 12
Volume 115,
Issue 11
Volume 115,
Issue 10
Volume 115,
Issue 9
Volume 115,
Issue 8
Volume 115,
Issue 7
Volume 115,
Issue 6
Volume 115,
Issue 5
Volume 115,
Issue 4
Volume 115,
Issue 3
Volume 115,
Issue 2
Volume 115,
Issue 1
Volume 114,
Issue 24
Volume 114,
Issue 23
Volume 114,
Issue 22
Volume 114,
Issue 21
Volume 114,
Issue 20
Volume 114,
Issue 19
Volume 114,
Issue 18
Volume 114,
Issue 17
Volume 114,
Issue 16
Volume 114,
Issue 15
Volume 114,
Issue 14
Volume 114,
Issue 13
Volume 114,
Issue 12
Volume 114,
Issue 11
Volume 114,
Issue 10
Volume 114,
Issue 9
Volume 114,
Issue 8
Volume 114,
Issue 7
Volume 114,
Issue 6
Volume 114,
Issue 5
Volume 114,
Issue 4
Volume 114,
Issue 3
Volume 114,
Issue 2
Volume 114,
Issue 1
Volume 113,
Issue 24
Volume 113,
Issue 23
Volume 113,
Issue 22
Volume 113,
Issue 21
Volume 113,
Issue 20
Volume 113,
Issue 19
Volume 113,
Issue 18
Volume 113,
Issue 17
Volume 113,
Issue 16
Volume 113,
Issue 15
Volume 113,
Issue 14
Volume 113,
Issue 13
Volume 113,
Issue 12
Volume 113,
Issue 11
Volume 113,
Issue 10
Volume 113,
Issue 9
Volume 113,
Issue 8
Volume 113,
Issue 7
Volume 113,
Issue 6
Volume 113,
Issue 5
Volume 113,
Issue 4
Volume 113,
Issue 3
Volume 113,
Issue 2
Volume 113,
Issue 1
Volume 112,
Issue 24
Volume 112,
Issue 23
Volume 112,
Issue 22
Volume 112,
Issue 21
Volume 112,
Issue 20
Volume 112,
Issue 19
Volume 112,
Issue 18
Volume 112,
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Volume 112,
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Volume 112,
Issue 15
Volume 112,
Issue 14
Volume 112,
Issue 13
Volume 112,
Issue 12
Volume 112,
Issue 11
Volume 112,
Issue 10
Volume 112,
Issue 9
Volume 112,
Issue 8
Volume 112,
Issue 7
Volume 112,
Issue 6
Volume 112,
Issue 5
Volume 112,
Issue 4
Volume 112,
Issue 3
Volume 112,
Issue 2
Volume 112,
Issue 1
Volume 111,
Issue 15
Volume 111,
Issue 14
Volume 111,
Issue 13
Volume 111,
Issue 12
Volume 111,
Issue 11
Volume 111,
Issue 10
Volume 111,
Issue 9
Volume 111,
Issue 8
Volume 111,
Issue 7
Volume 111,
Issue 6
Volume 111,
Issue 5
Volume 111,
Issue 4
Volume 111,
Issue 3
Volume 111,
Issue 2
Volume 111,
Issue 1
Volume 110,
Issue 15
Volume 110,
Issue 14
Volume 110,
Issue 13
Volume 110,
Issue 12
Volume 110,
Issue 11
Volume 110,
Issue 10
Volume 110,
Issue 9
Volume 110,
Issue 8
Volume 110,
Issue 7
Volume 110,
Issue 6
Volume 110,
Issue 5
Volume 110,
Issue 4
Volume 110,
Issue 3
Volume 110,
Issue 2
Volume 110,
Issue 1
Volume 109,
Issue 15
Volume 109,
Issue 14
Volume 109,
Issue 13
Volume 109,
Issue 12
Volume 109,
Issue 11
Volume 109,
Issue 10
Volume 109,
Issue 9
Volume 109,
Issue 8
Volume 109,
Issue 7
Volume 109,
Issue 6
Volume 109,
Issue 5
Volume 109,
Issue 4
Volume 109,
Issue 3
Volume 109,
Issue 2
Volume 109,
Issue 1
Volume 108,
Issue 15
Volume 108,
Issue 14
Volume 108,
Issue 13
Volume 108,
Issue 12
Volume 108,
Issue 11
Volume 108,
Issue 10
Volume 108,
Issue 9
Volume 108,
Issue 8
Volume 108,
Issue 7
Volume 108,
Issue 6
Volume 108,
Issue 5
Volume 108,
Issue 4
Volume 108,
Issue 3
Volume 108,
Issue 2
Volume 108,
Issue 1
Volume 107,
Issue 15
Volume 107,
Issue 14
Volume 107,
Issue 13
Volume 107,
Issue 12
Volume 107,
Issue 11
Volume 107,
Issue 10
Volume 107,
Issue 9
Volume 107,
Issue 8
Volume 107,
Issue 7
Volume 107,
Issue 6
Volume 107,
Issue 5
Volume 107,
Issue 4
Volume 107,
Issue 3
Volume 107,
Issue 2
Volume 107,
Issue 1
Volume 106,
Issue 15
Volume 106,
Issue 14
Volume 106,
Issue 13
Volume 106,
Issue 12
Volume 106,
Issue 11
Volume 106,
Issue 10
Volume 106,
Issue 9
Volume 106,
Issue 8
Volume 106,
Issue 7
Volume 106,
Issue 6
Volume 106,
Issue 5
Volume 106,
Issue 4
Volume 106,
Issue 3
Volume 106,
Issue 2
Volume 106,
Issue 1
Volume 105,
Issue 6
Volume 105,
Issue 5
Volume 105,
Issue 4
Volume 105,
Issue 3
Volume 105,
Issue 2
Volume 105,
Issue 1
Volume 104,
Issue 6
Volume 104,
Issue 5
Volume 104,
Issue 4
Volume 104,
Issue 3
Volume 104,
Issue 2
Volume 104,
Issue 1
Volume 103,
Issue 6
Volume 103,
Issue 5
Volume 103,
Issue 4
Volume 103,
Issue 3
Volume 103,
Issue 2
Volume 103,
Issue 1
Volume 102,
Issue 6
Volume 102,
Issue 5
Volume 102,
Issue 4
Volume 102,
Issue 3
Volume 102,
Issue 2
Volume 102,
Issue 1
Volume 101,
Issue 6
Volume 101,
Issue 5
Volume 101,
Issue 4
Volume 101,
Issue 3
Volume 101,
Issue 2
Volume 101,
Issue 1
Volume 100,
Issue 6
Volume 100,
Issue 5
Volume 100,
Issue 4
Volume 100,
Issue 3
Volume 100,
Issue 2
Volume 100,
Issue 1
Volume 99,
Issue 6
Volume 99,
Issue 5
Volume 99,
Issue 4
Volume 99,
Issue 3
Volume 99,
Issue 2
Volume 99,
Issue 1
Volume 98,
Issue 6
Volume 98,
Issue 5
Volume 98,
Issue 4
Volume 98,
Issue 3
Volume 98,
Issue 2
Volume 98,
Issue 1
Volume 97,
Issue 6
Volume 97,
Issue 5
Volume 97,
Issue 4
Volume 97,
Issue 3
Volume 97,
Issue 2
Volume 97,
Issue 1
Volume 96,
Issue 6
Volume 96,
Issue 5
Volume 96,
Issue 4
Volume 96,
Issue 3
Volume 96,
Issue 2
Volume 96,
Issue 1
Volume 95,
Issue 6
Volume 95,
Issue 5
Volume 95,
Issue 4
Volume 95,
Issue 3
Volume 95,
Issue 2
Volume 95,
Issue 1
Volume 94,
Issue 6
Volume 94,
Issue 5
Volume 94,
Issue 4
Volume 94,
Issue 3
Volume 94,
Issue 2
Volume 94,
Issue 1
Volume 93,
Issue 6
Volume 93,
Issue 5
Volume 93,
Issue 4
Volume 93,
Issue 3
Volume 93,
Issue 2
Volume 93,
Issue 1
Volume 92,
Issue 6
Volume 92,
Issue 5
Volume 92,
Issue 4
Volume 92,
Issue 3
Volume 92,
Issue 2
Volume 92,
Issue 1
Volume 91,
Issue 6
Volume 91,
Issue 5
Volume 91,
Issue 4
Volume 91,
Issue 3
Volume 91,
Issue 2
Volume 91,
Issue 1
Volume 90,
Issue 6
Volume 90,
Issue 5
Volume 90,
Issue 4
Volume 90,
Issue 3
Volume 90,
Issue 2
Volume 90,
Issue 1
Volume 89,
Issue 6
Volume 89,
Issue 5
Volume 89,
Issue 4
Volume 89,
Issue 3
Volume 89,
Issue 2
Volume 89,
Issue 1
Volume 88,
Issue 6
Volume 88,
Issue 5
Volume 88,
Issue 4
Volume 88,
Issue 3
Volume 88,
Issue 2
Volume 88,
Issue 1
Volume 87,
Issue 6
Volume 87,
Issue 5
Volume 87,
Issue 4
Volume 87,
Issue 3
Volume 87,
Issue 2
Volume 87,
Issue 1
Volume 86,
Issue 6
Volume 86,
Issue 5
Volume 86,
Issue 4
Volume 86,
Issue 3
Volume 86,
Issue 2
Volume 86,
Issue 1
Volume 85,
Issue 6
Volume 85,
Issue 5
Volume 85,
Issue 4
Volume 85,
Issue 3
Volume 85,
Issue 2
Volume 85,
Issue 1
Volume 84,
Issue 6
Volume 84,
Issue 5
Volume 84,
Issue 4
Volume 84,
Issue 3
Volume 84,
Issue 2
Volume 84,
Issue 1
Volume 83,
Issue 6
Volume 83,
Issue 5
Volume 83,
Issue 4
Volume 83,
Issue 3
Volume 83,
Issue 2
Volume 83,
Issue 1
Volume 82,
Issue 6
Volume 82,
Issue 5
Volume 82,
Issue 4
Volume 82,
Issue 3
Volume 82,
Issue 2
Volume 82,
Issue 1
Volume 81,
Issue 6
Volume 81,
Issue 5
Volume 81,
Issue 4
Volume 81,
Issue 3
Volume 81,
Issue 2
Volume 81,
Issue 1
Volume 80,
Issue 6
Volume 80,
Issue 5
Volume 80,
Issue 4
Volume 80,
Issue 3
Volume 80,
Issue 2
Volume 80,
Issue 1
Volume 79,
Issue 6
Volume 79,
Issue 5
Volume 79,
Issue 4
Volume 79,
Issue 3
Volume 79,
Issue 2
Volume 79,
Issue 1
Volume 78,
Issue 6
Volume 78,
Issue 5
Volume 78,
Issue 4
Volume 78,
Issue 3
Volume 78,
Issue 2
Volume 78,
Issue 1
Volume 77,
Issue 6
Volume 77,
Issue 5
Volume 77,
Issue 4
Volume 77,
Issue 3
Volume 77,
Issue 2
Volume 77,
Issue 1
Volume 76,
Issue 6
Volume 76,
Issue 5
Volume 76,
Issue 4
Volume 76,
Issue 3
Volume 76,
Issue 2
Volume 76,
Issue 1
Volume 75,
Issue 6
Volume 75,
Issue 5
Volume 75,
Issue 4
Volume 75,
Issue 3
Volume 75,
Issue 2
Volume 75,
Issue 1
Volume 74,
Issue 6
Volume 74,
Issue 5
Volume 74,
Issue 4
Volume 74,
Issue 3
Volume 74,
Issue 2
Volume 74,
Issue 1
Volume 73,
Issue 6
Volume 73,
Issue 5
Volume 73,
Issue 4
Volume 73,
Issue 3
Volume 73,
Issue 2
Volume 73,
Issue 1
Volume 72,
Issue 6
Volume 72,
Issue 5
Volume 72,
Issue 4
Volume 72,
Issue 3
Volume 72,
Issue 2
Volume 72,
Issue 1
Volume 71,
Issue 6
Volume 71,
Issue 5
Volume 71,
Issue 4
Volume 71,
Issue 3
Volume 71,
Issue 2
Volume 71,
Issue 1
Volume 70,
Issue 6
Volume 70,
Issue 5
Volume 70,
Issue 4
Volume 70,
Issue 3
Volume 70,
Issue 2
Volume 70,
Issue 1
Volume 69,
Issue 6
Volume 69,
Issue 5
Volume 69,
Issue 4
Volume 69,
Issue 3
Volume 69,
Issue 2
Volume 69,
Issue 1
Volume 68,
Issue 6
Volume 68,
Issue 5
Volume 68,
Issue 4
Volume 68,
Issue 3
Volume 68,
Issue 2
Volume 68,
Issue 1
Volume 67,
Issue 6
Volume 67,
Issue 5
Volume 67,
Issue 4
Volume 67,
Issue 3
Volume 67,
Issue 2
Volume 67,
Issue 1
Volume 66,
Issue 6
Volume 66,
Issue 5
Volume 66,
Issue 4
Volume 66,
Issue 3
Volume 66,
Issue 2
Volume 66,
Issue 1
Volume 65,
Issue 6
Volume 65,
Issue 5
Volume 65,
Issue 4
Volume 65,
Issue 3
Volume 65,
Issue 2
Volume 65,
Issue 1
Volume 64,
Issue 6
Volume 64,
Issue 5
Volume 64,
Issue 4
Volume 64,
Issue 3
Volume 64,
Issue 2
Volume 64,
Issue 1
Volume 63,
Issue 6
Volume 63,
Issue 5
Volume 63,
Issue 4
Volume 63,
Issue 3
Volume 63,
Issue 2
Volume 63,
Issue 1
Volume 62,
Issue 6
Volume 62,
Issue 5
Volume 62,
Issue 4
Volume 62,
Issue 3
Volume 62,
Issue 2
Volume 62,
Issue 1
Volume 61,
Issue 6
Volume 61,
Issue 5
Volume 61,
Issue 4
Volume 61,
Issue 3
Volume 61,
Issue 2
Volume 61,
Issue 1
Volume 60,
Issue 8
Volume 60,
Issue 7
Volume 60,
Issue 6
Volume 60,
Issue 5
Volume 60,
Issue 4
Volume 60,
Issue 3
Volume 60,
Issue 2
Volume 60,
Issue 1
Volume 59,
Issue 6
Volume 59,
Issue 5
Volume 59,
Issue 4
Volume 59,
Issue 3
Volume 59,
Issue 2
Volume 59,
Issue 1
Volume 58,
Issue 6
Volume 58,
Issue 5
Volume 58,
Issue 4
Volume 58,
Issue 3
Volume 58,
Issue 2
Volume 58,
Issue 1
Volume 57,
Issue 6
Volume 57,
Issue 5
Volume 57,
Issue 4
Volume 57,
Issue 3
Volume 57,
Issue 2
Volume 57,
Issue 1
Volume 56,
Issue 6
Volume 56,
Issue 5
Volume 56,
Issue 4
Volume 56,
Issue 3
Volume 56,
Issue 2
Volume 56,
Issue 1
Volume 55,
Issue 6
Volume 55,
Issue 5
Volume 55,
Issue 4
Volume 55,
Issue 3
Volume 55,
Issue 2
Volume 55,
Issue 1
Volume 54,
Issue 6
Volume 54,
Issue 5
Volume 54,
Issue 4
Volume 54,
Issue 3
Volume 54,
Issue 2
Volume 54,
Issue 1
Volume 53,
Issue 6
Volume 53,
Issue 5
Volume 53,
Issue 4
Volume 53,
Issue 3
Volume 53,
Issue 2
Volume 53,
Issue 1
Volume 52,
Issue 6
Volume 52,
Issue 5
Volume 52,
Issue 4
Volume 52,
Issue 3
Volume 52,
Issue 2
Volume 52,
Issue 1
Volume 51,
Issue 6
Volume 51,
Issue 5
Volume 51,
Issue 4
Volume 51,
Issue 3
Volume 51,
Issue 2
Volume 51,
Issue 1
Volume 50,
Issue 6
Volume 50,
Issue 5
Volume 50,
Issue 4
Volume 50,
Issue 3
Volume 50,
Issue 2
Volume 50,
Issue 1
Volume 49,
Issue 6
Volume 49,
Issue 5
Volume 49,
Issue 4
Volume 49,
Issue 3
Volume 49,
Issue 2
Volume 49,
Issue 1
Volume 48,
Issue 6
Volume 48,
Issue 5
Volume 48,
Issue 4
Volume 48,
Issue 3
Volume 48,
Issue 2
Volume 48,
Issue 1
Volume 47,
Issue 6
Volume 47,
Issue 5
Volume 47,
Issue 4
Volume 47,
Issue 3
Volume 47,
Issue 2
Volume 47,
Issue 1
Volume 46,
Issue 6
Volume 46,
Issue 5
Volume 46,
Issue 4
Volume 46,
Issue 3
Volume 46,
Issue 2
Volume 46,
Issue 1
Volume 45,
Issue 6
Volume 45,
Issue 5
Volume 45,
Issue 4
Volume 45,
Issue 3
Volume 45,
Issue 2
Volume 45,
Issue 1
Volume 44,
Issue 6
Volume 44,
Issue 5
Volume 42,
Issue 5
Volume 34,
Issue s22
Volume 28,
Issue 6
Volume 18,
Issue s7
Volume 18,
Issue 4
Volume 1,
Issue 6
>
Table of contents
3993
DFT calculations of amine‐imine tautomerism in some pyrimidine derivatives and their 1:1 and 1:2 complexes with water
Hasanein, Ahmed A.
/ Senior, Samir A.
et al.
| 2011
4011
The reaction mechanism of the gas‐phase thermal decomposition kinetics of neopentyl halides: A DFT study
Mora, José R.
/ Márquez, Edgar
/ Lezama, Jesus
et al.
| 2011
4020
OPAL: A multiscale multicenter simulation package based on MPI‐2 protocol
Cao, Chao
/ Chen, Yun‐wen
/ Wu, Yuning
et al.
| 2011
4030
Deletion and contraction identities for the resistance values and the Kirchhoff index
Cinkir, Zubeyir
et al.
| 2011
4042
Spin‐free quantum chemistry: What one can gain from fock's cyclic symmetry
Luzanov, A. V.
et al.
| 2011
4067
Classification of partially reflecting surfaces using photodetached electron spectrum
Afaq, A.
/ Ahmad, Iftikhar
et al.
| 2011
4072
Applications of automatic differentiation to the time‐dependent Schrödinger equation
Chou, Chia‐Chun
/ Wyatt, Robert E.
et al.
| 2011
4080
Theoretical investigation on the spectroscopic properties of cyclometallated iridium (III) complexes and the deprotonation influence on them in solution
Wang, Jian
/ Xia, Bao‐Hui
/ Bai, Fu‐Quan
et al.
| 2011
4091
Development of force field parameters for oxyluciferin on its electronic ground and excited states
Song, Chang‐Ik
/ Rhee, Young Min
et al.
| 2011
4106
Sigma, pi, and delta wavefunction forms for the hydrogen molecule
Datta, Sumita
/ Alexander, S. A.
/ Coldwell, R. L.
et al.
| 2011
4113
Analysis of pair interaction in a bipolar mesogen 4‐(4‐hydroxylbutyloxy)‐4′‐cyano‐biphenyl: A comparative study based on semiempirical and DFT methods
Roychoudhury, Mihir
/ Srivastav, Rakesh Kumar
et al.
| 2011
4124
Meaning of the wave function
Gao, Shan
et al.
| 2011
4139
Computation of ionization and various excited state energies ofhelium and helium‐like quantum dots
Yakar, Yusuf
/ Çakir, Bekir
/ Özmen, Ayhan
et al.
| 2011
4150
The Kernel energy method: Application to graphene and extended aromatics
Huang, Lulu
/ Bohorquez, Hugo J.
/ Matta, Chérif F.
et al.
| 2011
4158
Natural molecular shells as open subsystems of small molecules
Gottlieb, Alex D.
/ Head, John D.
/ Perusse, Dennis
et al.
| 2011
4174
Interaction energy‐based drug–receptor interaction study of metal–bicyclam complexes
Singh, R. K.
/ Khan, Mohd. Adil
et al.
| 2011
4186
A DFT/TDDFT study of porphyrazines and phthalocyanine oxo‐titanium derivatives as potential dyes in solar cells
Zarate, Ximena
/ Schott, Eduardo
/ Arratia‐Pérez, Ramiro
et al.
| 2011
4197
Electron smearing in DFT calculations: A case study of doxorubicin interaction with single‐walled carbon nanotubes
Basiuk, Vladimir A.
et al.
| 2011
4206
The H‐Bond activation mechanism and enantioselectivity in stepwise conjugate amine addition promoted by hydroxyl‐thiourea catalyst
Lu, Nan
/ Chen, Dezhan
/ Mi, Shizhen
et al.
| 2011
4214
Theoretical studies on the transport property of oligosilane with p ‐n junction
Zhang, Gui‐Ling
/ Yuan, Hong‐Liang
/ Zhang, Hui
et al.
| 2011
4224
Absorption spectra of azobenzenes simulated with time‐dependent density functional theory
Jacquemin, Denis
/ Preat, Julien
/ Perpète, Eric A.
et al.
| 2011
4241
Stable complex C2 H4 Al4 Li3 − and its similarity with bicyclo[2.2.0]hex‐2‐ene: A DFT study
Satpati, Priyadarshi
et al.
| 2011
4247
Structure, properties, and nature of the BrF‐HX complexes: An Ab initio study
Wu, Junyong
et al.
| 2011
4255
Correlated n 1,3 S states for coulomb three‐body systems
Ancarani, L. U.
/ Rodriguez, K. V.
/ Gasaneo, G.
et al.
| 2011
4266
Addition of sulfur radicals to fullerenes
Denis, Pablo A.
/ Iribarne, Federico
et al.
| 2011
4276
Dissociation curves and binding energies of diatomic transition metal carbides from density functional theory
Goel, Satyender
/ Masunov, Artëm E.
et al.
| 2011
4288
Properties of hydrogen molecular ion with static screened coulomb and exponential cosine screened coulomb potentials
Ghoshal, Arijit
/ Ho, Y. K.
et al.
| 2011
4296
Ab initio studies of the conformers and conformational distribution of gas‐phase N,N ‐dimethylaminopropanol
Wang, Kedong
/ Zhang, Jicai
/ Xu, Guoliang
et al.
| 2011
4303
A first‐principles study of diatomic NiAl: Ground state, structure, and spectroscopic constants
Cundari, Thomas R.
/ Janardan, Smitha S.
/ Olatunji‐Ojo, Olayinka
et al.
| 2011
4309
Structural analysis of sterically hindered 1,4‐diols from the naturally occurring lignan hydroxymatairesinol a quantum chemical study
Sandberg, Thomas
/ Brusentsev, Yury
/ Eklund, Patrik
et al.
| 2011
4318
Theoretical study of the kojic acid structure in gas phase and aqueous solution
Kakkar, Rita
/ Singh, Chayannika
et al.
| 2011
4330
Quantum bifurcation in a coulombic‐like potential
Yang, Ciann‐Dong
/ Weng, Hung‐Jen
et al.
| 2011
4352
Quantum chemical studies on the structure and detonation properties of the fused polynitrodiazoles: New high energy density molecules
Ravi, P.
/ Gore, G.M.
/ Tewari, Surya P.
et al.
| 2011
4363
Energies of higher multipole vibrations of fullerenes in a semiclassical approach
Lamichhane, K.
/ Brack, M.
/ Winkler, P.
et al.
| 2011
4373
Theoretical study on low‐lying states of HAlO+ and HOAl+ cations
Li, Wen‐Zuo
/ Geng, Fang
/ Pei, Yu‐Wei
et al.
| 2011
4378
Effects of the Au(I)–Au(I) closed‐shell attraction on the electronic and phosphorescent properties in a series of coordination compounds: A theoretical study
Muñiz, Jesús
/ Sansores, Enrique
/ Reyes‐nava, J. A.
et al.
| 2011
4389
Structural and vibrational analysis of the OH torsional motion in difluorohydroxyborane
Melendez, F. J.
/ Muñoz‐Caro, C.
/ Niño, A.
et al.
| 2011
4400
Stereo‐dynamics of the F + HCl → HF + Cl reaction
Yin, Shuhui
/ Guo, Mingxing
/ Li, Lei
et al.
| 2011
4410
Computational study toward understanding the photodissociation mechanism of sarin
Xu, Cai‐Xia
/ Zuo, Guo‐Min
/ Cheng, Zhen‐Xing
et al.
| 2011
4418
An Ab initio theoretical investigation on the geometrical and electronic structures of BAun −/0 (n = 1–4) clusters
Li, Da‐Zhi
/ Li, Si‐Dian
et al.
| 2011
4418
An Ab initio theoretical investigation on the geometrical and electronic structures of BAun−/0 (n
Li, Da‐Zhi
et al.
| 2011
4425
Static and dynamic dipole polarizabilities and electron density at origin: Ground and excited states of hydrogen atom confined in multiwalled fullerenes
Motapon, O.
/ Ndengue, S. A.
/ Sen, K. D.
et al.
| 2011
4433
Direct MP2 molecular dynamics studies of H atom reaction with CD4 and CH4
Lu, Peng
/ Kuang, Xiao‐Yu
/ Li, Hui‐Fang
et al.
| 2011
4443
The effect of ionization and CH3 ligand for hydrogen storage in Co‐ and Ni‐based organometallic compounds
Guo, Jing‐Hua
/ Zhang, Hong
/ Miyamoto, Yoshiyuki
et al.
| 2011
4452
Quantum Monte Carlo calculations of bond dissociation energies for some nitro and amino molecules
Zhang, Hong
/ Cheng, Xin‐Lu
/ Chiesa, Simone
et al.
| 2011
4457
A first‐principles investigation of the hydrogen bond interaction and the sensitive characters in cis ‐1,3,4,6‐tetranitrooctahydroimidazo‐[4,5‐d]imidazole
Chen, Fang
/ Cheng, Xin‐Lu
et al.
| 2011
4465
Water chain encapsulated in carbon nanotube revealed by density functional theory
Wang, Y. J.
/ Wang, L. Y.
et al.
| 2011
4472
Molecular model studies based on ab initio calculations of nucleophilic and electrophilic addition‐substitution reactions focused on carbon–halogen compounds
Buck, Henk M.
et al.
| 2011
4483
A quantum chemical study on the antioxidant properties of aureusidin and bracteatin
Kumar, K. Senthil
/ Kumaresan, R.
et al.
| 2011
4497
Letter to the Editor: The mathematical soundness and the physical content of the subsystem variational procedure of the QTAIM
Shahbazian, Shant
et al.
| 2011
4501
Book Review
Kryachko, Eugene S.
et al.
| 2011
4504
Erratum: Interaction of atoms with graphenic‐type surfaces for the chemistry of the interstellar medium: New properties of H dimers on the surface
Teillet‐billy, D.
/ Rougeau, N.
/ Ivanovskaya, V. V.
et al.
| 2011
4505
Erratum: The role of the frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniques
La Porta, Felipe A.
/ Santiago, Regis T.
/ Ramalho, Teodorico C.
et al.
| 2011