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The Journal of Chemical Physics
Volume: 154 Pages: 124107-124107
10.1063/5.0040342
The Journal of Physical Chemistry C
Volume: 124 Pages: 24704-24712
10.1021/acs.jpcc.0c05858
Chemical Physics Letters
Volume: 755 Pages: 137760-137760
10.1016/j.cplett.2020.137760
nanoletter
Volume: 20 Pages: 599-605
10.1021/acs.nanolett.9b04367
Journal of Computational Chemistry
Volume: 41 Pages: 2203-2212
10.1002/jcc.26389
Nano Letters
Volume: 19 Pages: 2443-2449
10.1021/acs.nanolett.8b05180
J. Phys. Chem. C
Volume: 印刷中 Pages: 11134-11139
10.1021/acs.jpcc.9b01829
Volume: 40 Pages: 2622-2635
10.1002/jcc.26040
Acta Scientiarum Naturalium Universitatis Sunyatseni
Volume: 58 Pages: 91-102
AIP Conference Proceedings
Volume: 2040 Pages: 020013-020013
10.1063/1.5079055
ACS Cent. Sci.
Volume: 4 Pages: 664-665
10.1021/acscentsci.8b00228
Volume: 122 Pages: 4546-4556
10.1021/acs.jpcc.7b10281
Volume: 121 Pages: 7294-7302
10.1021/acs.jpcc.7b00314
Journal of Computer Chemistry, Japan
Volume: 15 Issue: 6 Pages: 219-220
10.2477/jccj.2016-0057
130005310498
Volume: 121 Pages: 17703-17711
10.1021/acs.jpcc.7b05730
Volume: 1906 Pages: 030023-030023
10.1063/1.5012302
Theoretical Chemistry Accounts
Volume: 136
10.1007/s00214-016-2030-6
Zeitschrift fur Physikalische Chemie
Volume: 印刷中 Pages: 667-680
10.1515/zpch-2015-0722
ChemistrySelect
Volume: 1 Pages: 5521-5529
10.1002/slct.201600940
Journal of Mathematical Chemistry
Volume: 54 Pages: 1585-1595
10.1007/s10910-016-0638-3
Volume: 145
10.1063/1.4956456
ChemPhysChem
Volume: in press Pages: 1551-1556
10.1002/cphc.201402901
J. Mol. Model.
Volume: 21
10.1007/s00894-015-2666-5
Polyhedron
Volume: 87 Pages: 141-146
10.1016/j.poly.2014.11.013
J. Comput. Chem.
Volume: in press
Volume: 36 Pages: 2103-2113
10.1002/jcc.24047
J. Chem. Phys.
Volume: 142 Pages: 104111-104111
10.1063/1.4913931
Chem. Phys. Lett.
Volume: 637 Pages: 143-147
10.1016/j.cplett.2015.07.060
Volume: 20
10.1007/s00894-014-2277-6
Int. J. Quantum Chem.
Volume: 114 Pages: 303-303
10.1002/qua.24543
Volume: 565 Pages: 143-147
10.1016/j.cplett.2013.02.039
Curr. Phys. Chem.
Volume: 3(1) Pages: 99-112
10.2174/1877946811303010014
Volume: 113(4) Pages: 489-496
10.1002/qua.24199
Materials
Volume: 6(3) Pages: 870-885
10.3390/ma6030870
Volume: 560 Pages: 66-70
10.1016/j.cplett.2012.12.046
Volume: 113(4) Pages: 423-427
10.1002/qua.24244
J. Phys. Org. Chem.
Volume: 26(11) Pages: 885-891
10.1002/poc.3186
Volume: 590 Pages: 136-140
10.1016/j.cplett.2013.10.064
J. Chem. Theory Comput.
Volume: 9(9) Pages: 4035-4045
10.1021/ct4006163
AIP
International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)
Volume: 1504(1) Pages: 563-566
10.1063/1.4771759
Theory and Computation : Old Problems and New Challenge, International Conference of Computational Methods in Sciences and Engineering
Current Physical Chemistry
Volume: (In press)
Volume: 1504(1) Pages: 167-175
10.1063/1.4771712
Phys. Chem. Chem. Phys.
Volume: 14(21) Pages: 7640-7668
10.1039/c2cp24033e
Int. J. Quantum Chem
Volume: 112(1) Pages: 230-239
J. Phys. Chem. A
Volume: 116(51) Pages: 12492-12502
10.1021/jp308681t
10.1002/qua.23230
Volume: 1504(1) Pages: 647-650
10.1063/1.4771778
Theor. Chem. Acc.
Volume: 131
10.1007/s00214-012-1277-9
International Conference of Computational Methods in Sciences and Engineering 2009, AIP Proceedings
Volume: 1504(1) Pages: 544-547
10.1063/1.4771755
Theor.Chem.Acc.
Volume: 130(4-6) Pages: 789-806
10.1007/s00214-011-1037-2
Volume: 111(4) Pages: 819-825
Theor. Chem. Acc
Int.J.Quantum Chem.
Volume: 114(4) Pages: 819-825
Int.J.Quantum Chem. 111(4)
Pages: 819-825
Volume: 130(4-6) Pages: 595-608
10.1007/s00214-011-1011-z
AIP full paper of the ICCMSE 2009 (in press)
Mol. Phys
Volume: 108(2) Pages: 205-210
Volume: 110(12) Pages: 2130-2139
J. Comput. Chem. 31(4)
Pages: 863-870
Theor.Chem.Acc. 125(3-6)
Pages: 493-501
Int. J. Quantum Chem. (in press)
Proceedings of the ICCMSE 2009 (in press)
Pages: 30-33
Volume: 125(3-6) Pages: 511-520
Mol. Phys. 108(2)
Pages: 205-210
Volume: 125(3-6) Pages: 493-501
Pages: 34-37
Mol.Phys. 108(2)
Theor. Chem. Acc. 125(3-6)
Pages: 453-460
Int.J.Quantum Chem. 110(12)
Pages: 2130-2139
Pages: 511-520
3-chalcogendiazoles by the elongation method, Theor. Chem. Acc
Volume: 125(3-6) Pages: 453-460
Implementation and Efficiency, J. Comput. Chem
Volume: 31(8) Pages: 1733-1740
J.Comput.Chem. 30(14)
Pages: 2213-2230
J.Comput.Chem. 31(8)
Pages: 1733-1740
J. Comput. Chem
Volume: 30(14) Pages: 2213-2230
Chem. Phys. Lett. 474(1-3)
Pages: 175-179
J.Chem.Phys. 130(19)
Pages: 1941061-1941068
J. Comput. Chem. 30(14)
J. Comput. Chem. in press
Volume: 3(15) Pages: 2515-2525
Mol. Phys. 107(1)
Pages: 81-87
J. Chem. Phys. 130(19)
Pages: 1941061-8
Chem.Phys.Lett. 474(1-3)
International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009) (in press)
Volume: 109(6) Pages: 1328-1340
J. Comput. Chem. 3(15)
Pages: 2515-2525
Int.J.Quantum Chem. 109(6)
Pages: 1328-1340
International Conference of Computational Methods in Sciences and Engineering 2009
J.Phys.Chem.C 113(19)
Pages: 8447-8454
Volume: 113(8) Pages: 1429-1433
J.Comput.Chem. 3(15)
J. Chem. Phys
Volume: 130(19) Pages: 1941061-8
International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE2009) (in press)
Mol.Phys. 107(1)
J. Phys. Chem. A 113(8)
Pages: 1429-1433
AIP (in press)
Int. J. Quantum Chem. 109(6)
J. Comput. Chem. 30(7)
Pages: 1128-1134
Trimer and its Polymer with Diffuse Excess Electrons, J. Comput. Chem
Volume: 31(4 Pages: 863-870
Mol. Phys. in press
J. Phys. Chem. C 113(19)
Chem. Phys. Lett
Volume: 474(1-3) Pages: 175-179
J. Phys. Chem. in press
Volume: 107(1) Pages: 81-87
J.Comput.Chem. 31(4)
Volume: 113(19) Pages: 8447-8454
J. Comput. Chem. 31(8)
J.Phys.Chem.A 113(8)
J. Phys. Chem. 112
Pages: 11462-11467
J. Chem. Phys. 128
Phys.Rev.B 77(16)
Pages: 1651051-16510512
J.Chem.Phys 128
J.Chem.Phys. 128(7)
Pages: 0741091-7
J. Phys. Chem. B 112(4)
Pages: 1090-1094
Pages: 741091-741097
Phys. Rev. B 77(16)
Proceedings of the ICCMSE 2007 963(2)
Pages: 118-121
J.Chem.Phys 126
J.Chem.Phys. 127(8)
Pages: 841031-8410316
J.Chem.Phys. 126(21)
J.Phys.Chem.C 111(17)
Pages: 6350-6356
Computational Methods in Science and Engineering : Theory and Computation : Old Problems and New Challenge, Lectures Presented at the ICCMSE 2007 963(1)
Pages: 120-137
Computing Letters 3(4)
Pages: 231-241
J.Chem.Phys 127
J.Phys.Chem.A 111(33)
Pages: 8241-8249
Pages: 847021-8470211
Pages: 2151041-2151047
Lectures Presented at the ICCMSE 2007 963(1)
J.Am.Chem.Soc. 129(10)
Pages: 2967-2970
Chem Phys Chem (in press)
J.Phys.Chem.A 110(17)
Pages: 5803-5808
J.Comp.Chem. (in press)
J.Phys.Chem.A (in press)
J.Am.Chem.Soc.Communication 128
Pages: 1072-1073
J.Comp.Chem. 27
Pages: 986-993
J.Chem.Theor.Comp. 2(3)
Pages: 786-796
Journal Chemical Modeling in Science and Engineering (in press)
Int.J.Quantum Chem. 106
Pages: 1924-1933
J.Polym.Sci.Part B : Polymer Physics 44(1)
Pages: 119-133
Imperial College Press(edited by G.Maroulis) (in press)
Int.J.Quantum Chem. 102
Pages: 785-794
Int.J.Quantum Chem (in press)
Int.J.Quantum Chem 102
J.Phys.Chem.A 108
Pages: 8478-8484
Phys.Chem.Chem.Phys. 6
Pages: 4566-4570
高分子加工 53(10)
Pages: 435-441
J.Chem.Phys. 121
Pages: 10385-10391
Mol.Phys. 102
Pages: 1891-1901
Lecture Series on Computer and Computational Sciences and Engineering 2004
Pages: 775-778
Pages: 779-782
高分子 53(7)
Pages: 512-512