Crossref other
Wiley
Advances in Chemical Physics (311)
Bibliography

Thiel, W. (1996). Perspectives on Semiempirical Molecular Orbital Theory. Advances in Chemical Physics, 703–757. Portico.

Authors 1
  1. Walter Thiel (first)
References 271 Referenced 73
  1. {'key': 'e_1_2_1_2_2', 'volume-title': 'The Quantum Theory of Molecular Electronic Structure', 'author': 'Parr R. G.', 'year': '1963'} / The Quantum Theory of Molecular Electronic Structure by Parr R. G. (1963)
  2. {'key': 'e_1_2_1_3_2', 'volume-title': 'The Molecuar Orbital Theory of Conjugated Systems', 'author': 'Salem L.', 'year': '1966'} / The Molecuar Orbital Theory of Conjugated Systems by Salem L. (1966)
  3. {'key': 'e_1_2_1_4_2', 'volume-title': 'The Molecular Orbital Theory of Organic Chemistry', 'author': 'Dewar M. J. S.', 'year': '1969'} / The Molecular Orbital Theory of Organic Chemistry by Dewar M. J. S. (1969)
  4. {'key': 'e_1_2_1_5_2', 'volume-title': 'Approximate Molecular Orbital Theory', 'author': 'Pople J. A.', 'year': '1970'} / Approximate Molecular Orbital Theory by Pople J. A. (1970)
  5. {'key': 'e_1_2_1_6_2', 'volume-title': 'Semiempirical Self‐Consistent‐Field Molecular Orbital Theory of Molecules', 'author': 'Murrell J. N.', 'year': '1972'} / Semiempirical Self‐Consistent‐Field Molecular Orbital Theory of Molecules by Murrell J. N. (1972)
  6. {'key': 'e_1_2_1_7_2', 'volume-title': 'Modern Theoretical Chemistry', 'author': 'Segal G. A.', 'year': '1977'} / Modern Theoretical Chemistry by Segal G. A. (1977)
  7. M.ScholzandH.‐J.Köhler Quantenchemie Heidelberg Germany 1981 Vol. 3.
  8. {'key': 'e_1_2_1_9_2', 'volume-title': 'A Handbook of Computational Chemistry', 'author': 'Clark T.', 'year': '1985'} / A Handbook of Computational Chemistry by Clark T. (1985)
  9. 10.1126/science.187.4181.1037
  10. 10.1007/BF00552463
  11. 10.1021/j100257a004
  12. 10.1016/S0040-4020(01)86235-9
  13. 10.1007/BF00128336
  14. 10.1002/9780470125786.ch2
  15. 10.1002/9780470125793.ch8
  16. 10.1063/1.1701475
  17. 10.1039/f29807600302
  18. 10.1063/1.1679397
  19. 10.1002/jcc.540060619
  20. 10.1021/ja00457a004
  21. 10.1021/ja00396a021
  22. 10.1021/ja00299a024
  23. 10.1002/jcc.540100208
  24. 10.1016/S0040-4020(01)81868-8
  25. 10.1016/S0040-4020(01)80782-1
  26. 10.1007/BF00574898
  27. 10.1002/qua.560320209
  28. 10.1007/BF00528484
  29. 10.1007/BF00547605
  30. 10.1063/1.1727227
  31. 10.1063/1.1668915
  32. 10.1063/1.1712233
  33. 10.1021/ja00839a001
  34. 10.1007/BF01134863
  35. 10.1002/qua.560440511
  36. 10.1016/0166-1280(94)85037-2
  37. W.ThielandA. A.Voityuk J. Phys. Chem. in press.
  38. 10.1002/jcc.540140108
  39. W.WeberandW.Thiel to be published.
  40. 10.1007/BF00548085
  41. 10.1021/ja01075a008
  42. 10.1007/BF00528281
  43. 10.1002/jcc.1986.7.2.213
  44. 10.1021/ja00457a005
  45. 10.1007/BF00550240
  46. 10.1002/jcc.540030207
  47. 10.1021/ja00332a018
  48. 10.1021/ja00396a022
  49. 10.1021/ja00301a010
  50. 10.1021/ja00285a017
  51. 10.1021/ja00396a023
  52. 10.1007/978-3-642-58179-3_13
  53. 10.1007/BF01114748
  54. 10.1016/0301-0104(92)87112-M
  55. 10.1524/zpch.1957.12.5_6.335
  56. 10.1524/zpch.1957.13.3_4.140
  57. 10.1021/ja00484a001
  58. 10.1016/0166-1280(85)80050-6
  59. UniChem Chemistry Codes distributed by Cray Research Eagan since1991.
  60. W.Thiel Program MNDO93 Version 4.1 Zürich 1993.
  61. 10.1063/1.462165
  62. R. D.Amos I. L.Alberts J. S.Andrews S. M.Colwell N. C.Handy D.Jayatilaka P. J.Knowles R.Kobayashi N.Koga K. E.Laidig P. E.Maslen C. W.Murray J. E.Rice J.Sanz E. D.Simandiras A. J.Stone andM.‐D.Su CADPAC: Cambridge Analytical Derivative Package Version 5.1 Cambridge 1993.
  63. 10.1021/ja00267a063
  64. 10.1016/0009-2614(89)85118-8
  65. 10.1016/0009-2614(92)85777-8
  66. 10.1016/0009-2614(94)01459-9
  67. 10.1002/jcc.540030214
  68. 10.1038/347354a0
  69. 10.1038/318162a0
  70. {'key': 'e_1_2_1_69_2', 'volume-title': 'Buckminsterfullerenes', 'author': 'Billups W. E.', 'year': '1993'} / Buckminsterfullerenes by Billups W. E. (1993)
  71. 10.1002/9783527619214
  72. {'key': 'e_1_2_1_71_2', 'volume-title': 'Electronic Structure Calculations on Fullerenes and Their Derivatives', 'author': 'Cioslowski J.', 'year': '1995'} / Electronic Structure Calculations on Fullerenes and Their Derivatives by Cioslowski J. (1995)
  73. R. C.HaddonandK.Raghavachari in Ref. 68 Chap. 7.
  74. 10.1021/ja00010a012
  75. 10.1126/science.261.5128.1545
  76. 10.1021/ja00145a025
  77. G. E.Scuseria in Ref. 68 Chap. 5.
  78. 10.1038/359707a0
  79. 10.1016/0009-2614(92)85475-P
  80. 10.1016/0009-2614(92)85476-Q
  81. 10.1021/j100185a014
  82. C.Thilgen F.Diederich andR. L.Whetten in Ref. 68 Chap. 3.
  83. 10.1016/0009-2614(93)87169-4
  84. 10.1016/0009-2614(92)87013-F
  85. 10.1021/j100194a001
  86. 10.1021/j100198a021
  87. 10.1021/j100200a021
  88. 10.1021/j100205a031
  89. 10.1016/0009-2614(92)85458-M
  90. 10.1021/ja00069a058
  91. 10.1126/science.260.5116.1918
  92. 10.1021/j100067a003
  93. 10.1002/ange.19931051009
  94. 10.1038/363060a0
  95. 10.1021/j100133a011
  96. 10.1021/j100058a015
  97. 10.1038/366665a0
  98. 10.1103/PhysRevLett.72.669
  99. {'key': 'e_1_2_1_97_2', 'volume-title': 'Fullerenes, Carbon, and Metal‐Carbon Clusters', 'author': 'Murry R. L.', 'year': '1995'} / Fullerenes, Carbon, and Metal‐Carbon Clusters by Murry R. L. (1995)
  100. 10.1016/0009-2614(86)80661-3
  101. 10.1063/1.454640
  102. K. F.Freed in Ref. 6 Vol.7 pp.201–253.
  103. 10.1021/ar00088a004
  104. 10.1002/9780470142936.ch6
  105. {'key': 'e_1_2_1_103_2', 'first-page': '1', 'volume-title': 'Lecture Notes in Chemistry', 'author': 'Freed K. F.', 'year': '1989'} / Lecture Notes in Chemistry by Freed K. F. (1989)
  106. 10.1063/1.442619
  107. 10.1002/ijch.198000010
  108. 10.1063/1.439646
  109. 10.1063/1.445898
  110. 10.1063/1.444052
  111. 10.1063/1.445860
  112. 10.1016/0009-2614(81)85206-2
  113. 10.1063/1.446786
  114. 10.1063/1.447078
  115. 10.1016/0009-2614(85)80253-0
  116. 10.1063/1.452753
  117. 10.1063/1.457188
  118. 10.1063/1.446252
  119. 10.1063/1.466889
  120. 10.1063/1.467519
  121. 10.1063/1.467310
  122. 10.1021/j100009a029
  123. 10.1063/1.467406
  124. 10.1002/qua.560270410
  125. S.PatchkovskiiandW.Thiel J. Comput. Chem. in press.
  126. AMPAC 5.0(1994) Semichem Shawnee Kans.
  127. W.ThielandA. A.Voityuk to be published.
  128. {'key': 'e_1_2_1_125_2', 'volume-title': 'SPARTAN 4.0', 'year': '1995'} / SPARTAN 4.0 (1995)
  129. W. J.Hehre private communication 1994.
  130. A. J.Holder private communication 1994.
  131. 10.1007/BF00527664
  132. 10.1063/1.1747632
  133. 10.1016/S0065-3276(08)60339-1
  134. 10.1016/0009-2614(71)80519-5
  135. 10.1016/0009-2614(72)80012-5
  136. 10.1007/BF00527564
  137. 10.1007/BF02404589
  138. 10.1080/00268976700101481
  139. {'key': 'e_1_2_1_135_2', 'volume-title': 'Einführung in die Theoretische Chemie', 'author': 'Kutzelnigg W.', 'year': '1978'} / Einführung in die Theoretische Chemie by Kutzelnigg W. (1978)
  140. 10.1063/1.1750138
  141. 10.1016/0009-2614(78)85248-8
  142. {'key': 'e_1_2_1_138_2', 'first-page': '251', 'volume-title': 'Current Aspects of Quantum Chemistry', 'author': 'de Bruijn S.', 'year': '1982'} / Current Aspects of Quantum Chemistry by de Bruijn S. (1982)
  143. 10.1002/jcc.540120107
  144. 10.1016/0009-2614(94)01283-0
  145. 10.1007/BF01113867
  146. 10.1007/BF00548949
  147. 10.1002/jcc.540080612
  148. 10.1007/BF00527665
  149. 10.1002/jcc.540130710
  150. 10.1021/j100165a009
  151. 10.1021/ja00024a076
  152. 10.1021/ja00070a029
  153. 10.1016/0009-2614(94)01450-A
  154. 10.1021/cr00077a011
  155. 10.1007/BF00528261
  156. 10.1002/jcc.540110403
  157. 10.1016/0009-2614(90)85609-G
  158. 10.1002/jcc.540140706
  159. 10.1002/jcc.540150103
  160. 10.1016/0009-2614(90)85358-J
  161. 10.1016/0166-1280(92)87170-5
  162. 10.1002/jcc.540110202
  163. 10.1002/jcc.540140911
  164. 10.1002/jcc.540150210
  165. D.Bakowies Ph.D. thesis Universität Zürich Hartung‐Gorre Verlag Konstanz Germany 1994.
  166. D.BakowiesandW.Thiel J. Comput. Chem. in press.
  167. 10.1002/jcc.540140502
  168. 10.1002/jcc.540151003
  169. 10.1146/annurev.pc.43.100192.002203
  170. {'key': 'e_1_2_1_165_2', 'first-page': '171', 'volume-title': 'Reviews in Computational Chemistry', 'author': 'Bachrach S. M.', 'year': '1993'} / Reviews in Computational Chemistry by Bachrach S. M. (1993)
  171. 10.1002/jcc.540141213
  172. 10.1007/BF00117280
  173. 10.1063/1.1740588
  174. 10.1063/1.449486
  175. 10.1093/oso/9780198551683.001.0001 / Atoms in Molecules: A Quantum Theory by Bader R. W. F. (1990)
  176. 10.1021/ar00069a004
  177. 10.1063/1.452037
  178. 10.1002/9780470125793.ch6
  179. 10.1002/jcc.540110404
  180. 10.1002/jcc.540110803
  181. 10.1021/ja01121a522
  182. 10.1126/science.121.3137.207
  183. {'key': 'e_1_2_1_177_2', 'volume-title': 'Chemical Bonds and Bond Energy', 'author': 'Sanderson R. T.', 'year': '1976'} / Chemical Bonds and Bond Energy by Sanderson R. T. (1976)
  184. 10.1063/1.436185
  185. 10.1063/1.438228
  186. 10.1016/0040-4020(80)80168-2
  187. 10.1021/ja00275a013
  188. 10.1021/j100161a070
  189. 10.1021/j100142a004
  190. 10.1021/ja00074a030
  191. 10.1002/jcc.540140711
  192. 10.1002/9780470125830.ch1
  193. {'key': 'e_1_2_1_187_2', 'first-page': '119', 'volume-title': 'Reviews in Computational Chemistry', 'author': 'Gao J.', 'year': '1995'} / Reviews in Computational Chemistry by Gao J. (1995)
  194. 10.1021/ja00260a028
  195. 10.1021/j100181a009
  196. 10.1021/ja00031a073
  197. 10.1126/science.1411573
  198. 10.1002/qua.560480847
  199. 10.1063/1.464126
  200. 10.1021/ja00060a047
  201. 10.1021/ja00083a049
  202. 10.1002/qua.560440517
  203. 10.1063/1.468699
  204. 10.1002/jcc.540151112
  205. 10.1016/0166-1280(85)85133-2
  206. 10.1002/qua.560300745
  207. 10.1021/jo00287a012
  208. 10.1039/p29910000635
  209. 10.1021/j100196a019
  210. 10.1002/jcc.540140312
  211. 10.1007/978-94-009-2313-3_8
  212. 10.1002/jcc.540130602
  213. 10.1016/0009-2614(93)85344-N
  214. 10.1002/jcc.540130214
  215. 10.1016/0166-1280(93)80003-I
  216. 10.1016/0009-2614(92)85924-Y
  217. 10.1063/1.463919
  218. 10.1021/ja00052a061
  219. 10.1002/jcc.540140302
  220. 10.1021/ja00073a036
  221. A.KlamtandG.Schüürmann J. Chem. Soc. Perkin Trans. 2 799(1993). (10.1039/P29930000799)
  222. 10.1021/ja00022a017
  223. 10.1126/science.256.5054.213
  224. 10.1002/jcc.540130907
  225. 10.1007/BF00126219
  226. 10.1021/ja00108a023
  227. 10.1021/j100018a055
  228. C. J.CramerandD. G.Truhlar private communications 1995.
  229. {'key': 'e_1_2_1_223_2', 'volume-title': 'Computer Modeling of Chemical Reactions in Enzymes and Solutions', 'author': 'Warshel A.', 'year': '1991'} / Computer Modeling of Chemical Reactions in Enzymes and Solutions by Warshel A. (1991)
  230. 10.1021/cr00023a010
  231. {'key': 'e_1_2_1_225_2', 'first-page': '82', 'volume-title': 'Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications', 'author': 'Field M. J.', 'year': '1993'} / Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications by Field M. J. (1993)
  232. 10.1016/0022-2836(76)90311-9
  233. 10.1002/jcc.540070604
  234. 10.1002/jcc.540110605
  235. 10.1002/jcc.540160105
  236. 10.1021/bi00238a003
  237. 10.1016/S0166-1280(96)80005-4
  238. 10.1002/jcc.540130602
  239. 10.1002/jcc.540130706
  240. 10.1002/jcc.540150303
  241. D.BakowiesandW.Thiel submitted for publication.
  242. 10.1021/ja00205a001
  243. 10.1021/ja00205a002
  244. 10.1016/0301-0104(81)85176-2
  245. G.‐A.CrazeandI.Watt J. Chem. Soc. Perkin Trans. 2 175(1981). (10.1039/p29810000175)
  246. 10.1039/p29820000361
  247. 10.1039/p29760001549
  248. 10.1021/cr00023a006
  249. 10.1021/ja00189a040
  250. 10.1021/ja00101a016
  251. P. K.Weiner Ph.D. thesis University of Texas Austin 1975.
  252. M.Kolb Ph.D. thesis Universität Wuppertal Wuppertal Germany 1991.
  253. {'key': 'e_1_2_1_247_2', 'volume-title': 'Genetic Algorithms in Search, Optimization, and Machine Learning', 'author': 'Goldberg D. E.', 'year': '1989'} / Genetic Algorithms in Search, Optimization, and Machine Learning by Goldberg D. E. (1989)
  254. 10.1063/1.460205
  255. J. J. P.Stewart Intern. J. Quantum Chem. in press.
  256. J. J. P.Stewart Abstracts of the International Workshop on Electronic Structure Methods for Truly Large Systems Braunlage Germany 1994.
  257. 10.1016/0097-8485(78)80005-9
  258. 10.1021/ja01010a005
  259. 10.1016/0166-1280(90)85012-C
  260. S.PatchkovskiiandW.Thiel Theor. Chim. Acta in press.
  261. 10.1063/1.447489
  262. {'key': 'e_1_2_1_256_2', 'first-page': '141', 'volume-title': 'Methods and Techniques in Computational Chemistry, METECC‐95', 'author': 'Thiel W.', 'year': '1995'} / Methods and Techniques in Computational Chemistry, METECC‐95 by Thiel W. (1995)
  263. 10.1063/1.464645
  264. 10.1063/1.466869
  265. 10.1103/PhysRevLett.70.263
  266. 10.1021/j100115a012
  267. 10.1142/S0217979292001912
  268. 10.1002/qua.560440417
  269. 10.1002/qua.560440505
  270. 10.1016/0166-1280(88)80403-2
  271. 10.1002/jcc.540080808
Dates
Type When
Created 18 years, 5 months ago (March 14, 2007, 4:27 p.m.)
Deposited 1 year, 6 months ago (Feb. 11, 2024, 9:22 p.m.)
Indexed 3 months, 2 weeks ago (May 22, 2025, 5:48 a.m.)
Issued 29 years, 8 months ago (Jan. 1, 1996)
Published 29 years, 8 months ago (Jan. 1, 1996)
Published Online 18 years, 5 months ago (March 14, 2007)
Published Print 29 years, 8 months ago (Jan. 1, 1996)
Funders 0

None

@misc{Thiel_1996, title={Perspectives on Semiempirical Molecular Orbital Theory}, ISBN={9780470141526}, ISSN={1934-4791}, url={http://dx.doi.org/10.1002/9780470141526.ch10}, DOI={10.1002/9780470141526.ch10}, journal={Advances in Chemical Physics}, publisher={Wiley}, author={Thiel, Walter}, year={1996}, month=jan, pages={703–757} }