Cu, Ag, cluster, CO

    AgCO

  1. Ag1CO.fchk
  2. Ag1CO_001.fchk
  3. Ag1CO_001TD.fchk
  4. Ag1CONBO.dic
  5. Ag1CONBO.fchk
  6. Ag1CONBO.gjf
  7. Ag1CONBO.last.xyz
  8. Ag1CONBO.out
  9. Ag1CONBOAlpha.cube
  10. Ag1CONBOBeta.cube
  11. Ag1CONBODensity.cube
  12. Ag1CONBOHomo.cube
  13. Ag1CONBOLumo.cube
  14. Ag1CONBOm1.dic
  15. Ag1CONBOm1.fchk
  16. Ag1CONBOm1.gjf
  17. Ag1CONBOm1.last.xyz
  18. Ag1CONBOm1.out
  19. Ag1CONBOm1Alpha.cube
  20. Ag1CONBOm1Beta.cube
  21. Ag1CONBOm1Density.cube
  22. Ag1CONBOm1Homo.cube
  23. Ag1CONBOm1Lumo.cube
  24. Ag1CONBOm1Potential.cube
  25. Ag1CONBOm1Spin.cube
  26. Ag1CONBOm2.dic
  27. Ag1CONBOm2.fchk
  28. Ag1CONBOm2.gjf
  29. Ag1CONBOm2.last.xyz
  30. Ag1CONBOm2.out
  31. Ag1CONBOm2Alpha.cube
  32. Ag1CONBOm2Beta.cube
  33. Ag1CONBOm2Density.cube
  34. Ag1CONBOm2Homo.cube
  35. Ag1CONBOm2Lumo.cube
  36. Ag1CONBOm2Potential.cube
  37. Ag1CONBOm2Spin.cube
  38. Ag1CONBOm3.dic
  39. Ag1CONBOm3.fchk
  40. Ag1CONBOm3.gjf
  41. Ag1CONBOm3.last.xyz
  42. Ag1CONBOm3.out
  43. Ag1CONBOm3Alpha.cube
  44. Ag1CONBOm3Beta.cube
  45. Ag1CONBOm3Density.cube
  46. Ag1CONBOm3Homo.cube
  47. Ag1CONBOm3Lumo.cube
  48. Ag1CONBOm3Potential.cube
  49. Ag1CONBOm3Spin.cube
  50. Ag1CONBOp1.dic
  51. Ag1CONBOp1.fchk
  52. Ag1CONBOp1.gjf
  53. Ag1CONBOp1.last.xyz
  54. Ag1CONBOp1.out
  55. Ag1CONBOp1Alpha.cube
  56. Ag1CONBOp1Beta.cube
  57. Ag1CONBOp1Density.cube
  58. Ag1CONBOp1Homo.cube
  59. Ag1CONBOp1Lumo.cube
  60. Ag1CONBOp1Potential.cube
  61. Ag1CONBOp1Spin.cube
  62. Ag1CONBOp2.dic
  63. Ag1CONBOp2.fchk
  64. Ag1CONBOp2.gjf
  65. Ag1CONBOp2.last.xyz
  66. Ag1CONBOp2.out
  67. Ag1CONBOp2Alpha.cube
  68. Ag1CONBOp2Beta.cube
  69. Ag1CONBOp2Density.cube
  70. Ag1CONBOp2Homo.cube
  71. Ag1CONBOp2Lumo.cube
  72. Ag1CONBOp2Potential.cube
  73. Ag1CONBOp2Spin.cube
  74. Ag1CONBOPotential.cube
  75. Ag1CONBOSpin.cube
  76. Ag1CORam.dic
  77. Ag1CORam.fchk
  78. Ag1CORam.gjf
  79. Ag1CORam.last.xyz
  80. Ag1CORam.out
  81. Ag1CORamAlpha.cube
  82. Ag1CORamBeta.cube
  83. Ag1CORamDensity.cube
  84. Ag1CORamHomo.cube
  85. Ag1CORamLumo.cube
  86. Ag1CORamm1.dic
  87. Ag1CORamm1.fchk
  88. Ag1CORamm1.gjf
  89. Ag1CORamm1.last.xyz
  90. Ag1CORamm1.out
  91. Ag1CORamm1Alpha.cube
  92. Ag1CORamm1Beta.cube
  93. Ag1CORamm1Density.cube
  94. Ag1CORamm1Homo.cube
  95. Ag1CORamm1Lumo.cube
  96. Ag1CORamm1Potential.cube
  97. Ag1CORamm1Spin.cube
  98. Ag1CORamm2.dic
  99. Ag1CORamm2.gjf
  100. Ag1CORamm2.last.xyz
  101. Ag1CORamm2.out
  102. Ag1CORamp1.dic
  103. Ag1CORamp1.fchk
  104. Ag1CORamp1.gjf
  105. Ag1CORamp1.last.xyz
  106. Ag1CORamp1.out
  107. Ag1CORamp1Alpha.cube
  108. Ag1CORamp1Beta.cube
  109. Ag1CORamp1Density.cube
  110. Ag1CORamp1Homo.cube
  111. Ag1CORamp1Lumo.cube
  112. Ag1CORamp1Potential.cube
  113. Ag1CORamp1Spin.cube
  114. Ag1CORamp2.dic
  115. Ag1CORamp2.fchk
  116. Ag1CORamp2.gjf
  117. Ag1CORamp2.last.xyz
  118. Ag1CORamp2.out
  119. Ag1CORamp2Alpha.cube
  120. Ag1CORamp2Beta.cube
  121. Ag1CORamp2Density.cube
  122. Ag1CORamp2Homo.cube
  123. Ag1CORamp2Lumo.cube
  124. Ag1CORamp2Potential.cube
  125. Ag1CORamp2Spin.cube
  126. Ag1CORamPotential.cube
  127. Ag1CORamSpin.cube
  128. Ag1CORamT.dic
  129. Ag1CORamT.gjf
  130. Ag1CORamT.last.xyz
  131. Ag1CORamT.out
  132. Ag1CORamTm1.dic
  133. Ag1CORamTm1.fchk
  134. Ag1CORamTm1.gjf
  135. Ag1CORamTm1.last.xyz
  136. Ag1CORamTm1.out
  137. Ag1CORamTm1Alpha.cube
  138. Ag1CORamTm1Beta.cube
  139. Ag1CORamTm1Density.cube
  140. Ag1CORamTm1Homo.cube
  141. Ag1CORamTm1Lumo.cube
  142. Ag1CORamTm1Potential.cube
  143. Ag1CORamTm1Spin.cube

    144. Cu6CO, Z=0

  144. C6CO.fchk
  145. C6CO_002.fchk
  146. C6CO_003.fchk
  147. C6CO_004.fchk
  148. C6CO_004TD.fchk
  149. C6CO_005.fchk

    150. C6CO, Z=-2

  150. C6COm2.fchk
  151. C6COm2_002.fchk
  152. C6COm2_003.fchk
  153. C6COm2_004.fchk
  154. C6COm2_004TD.fchk
  155. CCuC4O.fchk
  156. CCuC4O_002.fchk
  157. CCuC4O_003.fchk
  158. CCuC4O_004.fchk

    159. Cu1CO, Z=0

  159. Cu1CO.dic
  160. Cu1CO.fchk
  161. Cu1CO.gjf
  162. Cu1CO.last.xyz
  163. Cu1CO.out
  164. Cu1CO.xyz
  165. Cu1COAlpha.cube
  166. Cu1COBeta.cube
  167. Cu1CODensity.cube
  168. Cu1COHomo.cube
  169. Cu1COLumo.cube
  170. Cu1CONBO.dic
  171. Cu1CONBO.fchk
  172. Cu1CONBO.gjf
  173. Cu1CONBO.last.xyz
  174. Cu1CONBO.out
  175. Cu1CONBOAlpha.cube
  176. Cu1CONBOBeta.cube
  177. Cu1CONBODensity.cube
  178. Cu1CONBOHomo.cube
  179. Cu1CONBOLumo.cube

    180. Cu1CO, Z=-1

  180. Cu1CONBOm1.dic
  181. Cu1CONBOm1.fchk
  182. Cu1CONBOm1.gjf
  183. Cu1CONBOm1.last.xyz
  184. Cu1CONBOm1.out
  185. Cu1CONBOm1Alpha.cube
  186. Cu1CONBOm1Beta.cube
  187. Cu1CONBOm1Density.cube
  188. Cu1CONBOm1Homo.cube
  189. Cu1CONBOm1Lumo.cube
  190. Cu1CONBOm1Potential.cube
  191. Cu1CONBOm1Spin.cube

    Cu1CO, Z=-2

  192. Cu1CONBOm2.dic
  193. Cu1CONBOm2.fchk
  194. Cu1CONBOm2.gjf
  195. Cu1CONBOm2.last.xyz
  196. Cu1CONBOm2.out
  197. Cu1CONBOm2Alpha.cube
  198. Cu1CONBOm2Beta.cube
  199. Cu1CONBOm2Density.cube
  200. Cu1CONBOm2Homo.cube
  201. Cu1CONBOm2Lumo.cube
  202. Cu1CONBOm2Potential.cube
  203. Cu1CONBOm2Spin.cube

    204. Cu1CO, Z=-3

  204. Cu1CONBOm3.dic
  205. Cu1CONBOm3.fchk
  206. Cu1CONBOm3.gjf
  207. Cu1CONBOm3.last.xyz
  208. Cu1CONBOm3.out
  209. Cu1CONBOm3Alpha.cube
  210. Cu1CONBOm3Beta.cube
  211. Cu1CONBOm3Density.cube
  212. Cu1CONBOm3Homo.cube
  213. Cu1CONBOm3Lumo.cube
  214. Cu1CONBOm3Potential.cube
  215. Cu1CONBOm3Spin.cube

    Cu1CO, Z=-4

  216. Cu1CONBOm4.dic
  217. Cu1CONBOm4.fchk
  218. Cu1CONBOm4.gjf
  219. Cu1CONBOm4.last.xyz
  220. Cu1CONBOm4.out
  221. Cu1CONBOm4Alpha.cube
  222. Cu1CONBOm4Beta.cube
  223. Cu1CONBOm4Density.cube
  224. Cu1CONBOm4Homo.cube
  225. Cu1CONBOm4Lumo.cube
  226. Cu1CONBOm4Potential.cube
  227. Cu1CONBOm4Spin.cube

    228. Cu1CO, Z=-5

  228. Cu1CONBOm5.dic
  229. Cu1CONBOm5.fchk
  230. Cu1CONBOm5.gjf
  231. Cu1CONBOm5.last.xyz
  232. Cu1CONBOm5.out
  233. Cu1CONBOm5Alpha.cube
  234. Cu1CONBOm5Beta.cube
  235. Cu1CONBOm5Density.cube
  236. Cu1CONBOm5Homo.cube
  237. Cu1CONBOm5Lumo.cube
  238. Cu1CONBOm5Potential.cube
  239. Cu1CONBOm5Spin.cube

    240. Cu1CO, Z=-6

  240. Cu1CONBOm6.dic
  241. Cu1CONBOm6.fchk
  242. Cu1CONBOm6.gjf
  243. Cu1CONBOm6.last.xyz
  244. Cu1CONBOm6.out
  245. Cu1CONBOm6Alpha.cube
  246. Cu1CONBOm6Beta.cube
  247. Cu1CONBOm6Density.cube
  248. Cu1CONBOm6Homo.cube
  249. Cu1CONBOm6Lumo.cube
  250. Cu1CONBOm6Potential.cube
  251. Cu1CONBOm6Spin.cube

    252. Cu1CO, Z=-7

  252. Cu1CONBOm7.dic
  253. Cu1CONBOm7.fchk
  254. Cu1CONBOm7.gjf
  255. Cu1CONBOm7.last.xyz
  256. Cu1CONBOm7.out
  257. Cu1CONBOm7Alpha.cube
  258. Cu1CONBOm7Beta.cube
  259. Cu1CONBOm7Density.cube
  260. Cu1CONBOm7Homo.cube
  261. Cu1CONBOm7Lumo.cube
  262. Cu1CONBOm7Potential.cube
  263. Cu1CONBOm7Spin.cube

    264. Cu1CO, Z=+1

  264. Cu1CONBOp1.dic
  265. Cu1CONBOp1.fchk
  266. Cu1CONBOp1.gjf
  267. Cu1CONBOp1.last.xyz
  268. Cu1CONBOp1.out
  269. Cu1CONBOp1Alpha.cube
  270. Cu1CONBOp1Beta.cube
  271. Cu1CONBOp1Density.cube
  272. Cu1CONBOp1Homo.cube
  273. Cu1CONBOp1Lumo.cube
  274. Cu1CONBOp1Potential.cube
  275. Cu1CONBOp1Spin.cube

    276. Cu1CO, Z=+2

  276. Cu1CONBOp2.dic
  277. Cu1CONBOp2.fchk
  278. Cu1CONBOp2.gjf
  279. Cu1CONBOp2.last.xyz
  280. Cu1CONBOp2.out
  281. Cu1CONBOp2Alpha.cube
  282. Cu1CONBOp2Beta.cube
  283. Cu1CONBOp2Density.cube
  284. Cu1CONBOp2Homo.cube
  285. Cu1CONBOp2Lumo.cube
  286. Cu1CONBOp2Potential.cube
  287. Cu1CONBOp2Spin.cube

    288. Cu1CO, Z=0

  288. Cu1CONBOPotential.cube
  289. Cu1CONBOSpin.cube
  290. Cu1CONBOT.dic
  291. Cu1CONBOT.fchk
  292. Cu1CONBOT.gjf
  293. Cu1CONBOT.last.xyz
  294. Cu1CONBOT.out
  295. Cu1CONBOTAlpha.cube
  296. Cu1CONBOTBeta.cube
  297. Cu1CONBOTDensity.cube
  298. Cu1CONBOTHomo.cube
  299. Cu1CONBOTLumo.cube

    300. Cu1CO, Z=-1

  300. Cu1CONBOTm1.dic
  301. Cu1CONBOTm1.fchk
  302. Cu1CONBOTm1.gjf
  303. Cu1CONBOTm1.last.xyz
  304. Cu1CONBOTm1.out
  305. Cu1CONBOTm1Alpha.cube
  306. Cu1CONBOTm1Beta.cube
  307. Cu1CONBOTm1Density.cube
  308. Cu1CONBOTm1Homo.cube
  309. Cu1CONBOTm1Lumo.cube
  310. Cu1CONBOTm1Potential.cube
  311. Cu1CONBOTm1Spin.cube

    312. Cu1CO, Z=-2

  312. Cu1CONBOTm2.dic
  313. Cu1CONBOTm2.fchk
  314. Cu1CONBOTm2.gjf
  315. Cu1CONBOTm2.last.xyz
  316. Cu1CONBOTm2.out
  317. Cu1CONBOTm2Alpha.cube
  318. Cu1CONBOTm2Beta.cube
  319. Cu1CONBOTm2Density.cube
  320. Cu1CONBOTm2Homo.cube
  321. Cu1CONBOTm2Lumo.cube
  322. Cu1CONBOTm2Potential.cube
  323. Cu1CONBOTm2Spin.cube

    324. Cu1CO, Z=-3

  324. Cu1CONBOTm3.dic
  325. Cu1CONBOTm3.fchk
  326. Cu1CONBOTm3.gjf
  327. Cu1CONBOTm3.last.xyz
  328. Cu1CONBOTm3.out
  329. Cu1CONBOTm3Alpha.cube
  330. Cu1CONBOTm3Beta.cube
  331. Cu1CONBOTm3Density.cube
  332. Cu1CONBOTm3Homo.cube
  333. Cu1CONBOTm3Lumo.cube
  334. Cu1CONBOTm3Potential.cube
  335. Cu1CONBOTm3Spin.cube

    336. Cu1CO, Z=+1

  336. Cu1CONBOTp1.dic
  337. Cu1CONBOTp1.fchk
  338. Cu1CONBOTp1.gjf
  339. Cu1CONBOTp1.last.xyz
  340. Cu1CONBOTp1.out
  341. Cu1CONBOTp1Alpha.cube
  342. Cu1CONBOTp1Beta.cube
  343. Cu1CONBOTp1Density.cube
  344. Cu1CONBOTp1Homo.cube
  345. Cu1CONBOTp1Lumo.cube
  346. Cu1CONBOTp1Potential.cube
  347. Cu1CONBOTp1Spin.cube

    348. Cu1CO, Z=+2

  348. Cu1CONBOTp2.dic
  349. Cu1CONBOTp2.fchk
  350. Cu1CONBOTp2.gjf
  351. Cu1CONBOTp2.last.xyz
  352. Cu1CONBOTp2.out
  353. Cu1CONBOTp2Alpha.cube
  354. Cu1CONBOTp2Beta.cube
  355. Cu1CONBOTp2Density.cube
  356. Cu1CONBOTp2Homo.cube
  357. Cu1CONBOTp2Lumo.cube
  358. Cu1CONBOTp2Potential.cube
  359. Cu1CONBOTp2Spin.cube

    360. Cu1CO, Z=0

  360. Cu1CONBOTPotential.cube
  361. Cu1CONBOTSpin.cube
  362. Cu1COPotential.cube
  363. Cu1CORam.dic
  364. Cu1CORam.fchk
  365. Cu1CORam.gjf
  366. Cu1CORam.last.xyz
  367. Cu1CORam.out
  368. Cu1CORamAlpha.cube
  369. Cu1CORamBeta.cube
  370. Cu1CORamDensity.cube
  371. Cu1CORamHomo.cube
  372. Cu1CORamLumo.cube
  373. Cu1CORamm1.dic
  374. Cu1CORamm1.gjf
  375. Cu1CORamm1.last.xyz
  376. Cu1CORamm1.out
  377. Cu1CORamm3.dic
  378. Cu1CORamm3.gjf
  379. Cu1CORamm3.last.xyz
  380. Cu1CORamm3.out
  381. Cu1CORamp1.dic
  382. Cu1CORamp1.gjf
  383. Cu1CORamp1.last.xyz
  384. Cu1CORamp1.out
  385. Cu1CORamPotential.cube
  386. Cu1CORamSpin.cube
  387. Cu1CORamT.dic
  388. Cu1CORamT.gjf
  389. Cu1CORamT.last.xyz
  390. Cu1CORamT.out
  391. Cu1CORamTm1.dic
  392. Cu1CORamTm1.gjf
  393. Cu1CORamTm1.last.xyz
  394. Cu1CORamTm1.out
  395. Cu1CORamTm3.dic
  396. Cu1CORamTm3.gjf
  397. Cu1CORamTm3.last.xyz
  398. Cu1CORamTm3.out
  399. Cu1CORamTp1.dic
  400. Cu1CORamTp1.gjf
  401. Cu1CORamTp1.last.xyz
  402. Cu1CORamTp1.out
  403. Cu1COSpin.cube
  404. Cu1COTD.fchk
  405. Cu1COTD.gjf
  406. Cu1COTD.out

    407. Cu1CO, Z=-1

  407. Cu1COTDm1.fchk
  408. Cu1COTDm1.gjf
  409. Cu1COTDm1.out

    410. Cu1CO, Z=-2

  410. Cu1COTDm2.fchk
  411. Cu1COTDm2.gjf
  412. Cu1COTDm2.out

    413. Cu1CO, Z=+1

  413. Cu1COTDp1.gjf

    414. Cu1CO, Z=+2

  414. Cu1COTDp2.fchk
  415. Cu1COTDp2.gjf
  416. Cu1COTDp2.out

    417. Cu2CO, Z=0

  417. Cu2CO01.fchk
  418. Cu2CO01TD.fchk
  419. Cu2CO02.fchk
  420. Cu2CO02_001TD.fchk
  421. Cu2CO02TD.fchk
  422. Cu2CO03.fchk
  423. Cu2CO03TD.fchk
  424. Cu2CO04.fchk
  425. Cu2CO04TD.fchk
  426. Cu2CO05.fchk
  427. Cu2CO05TD.fchk
  428. Cu2CO06.fchk
  429. Cu2CO06TD.fchk

    430. Cu3CO, Z=0

  430. Cu3CO01.fchk
  431. Cu3CO01_001.fchk
  432. Cu3CO01_001TD.fchk
  433. Cu3CO03.fchk
  434. Cu3CO03_001.fchk
  435. Cu3CO03_002TD.fchk
  436. Cu3CO04.fchk
  437. Cu3CO04_001.fchk
  438. Cu3CO04_002.fchk
  439. Cu3CO04_003TD.fchk
  440. Cu3CO05.fchk
  441. Cu3CO05TD.fchk
  442. Cu3CO06.fchk
  443. Cu3CO06_001.fchk
  444. Cu3CO06_001TD.fchk
  445. Cu3CO07.fchk
  446. Cu3CO07TD.fchk
  447. Cu3CO08.fchk
  448. Cu3CO08_001.fchk
  449. Cu3CO08_001TD.fchk
  450. Cu3CO09.fchk
  451. Cu3CO09_001.fchk
  452. Cu3CO09_001TD.fchk
  453. Cu3CO0A.fchk
  454. Cu3CO0A_001.fchk
  455. Cu3CO0B.fchk
  456. Cu3CO0B_001.fchk

    457. Cu4CO, Z=0

  457. Cu4CO01.fchk
  458. Cu4CO01_002Freq.fchk
  459. Cu4CO01_002TD.fchk
  460. Cu4CO01_003.fchk
  461. Cu4CO01_003TD.fchk
  462. Cu4CO02.fchk
  463. Cu4CO02_001TD.fchk
  464. Cu4CO03.fchk
  465. Cu4CO03_001.fchk
  466. Cu4CO03_001CIS.fchk
  467. Cu4CO03_001CIS_001.fchk
  468. Cu4CO03_001CIS_001CO.fchk
  469. Cu4CO03_001CIS_001Cu4.fchk
  470. Cu4CO03_001TD.fchk
  471. Cu4CO03_002.fchk
  472. Cu4CO04.fchk
  473. Cu4CO04_001.fchk
  474. Cu4CO04_001TD.fchk
  475. Cu4CO05.dic
  476. Cu4CO05.fchk
  477. Cu4CO05.gjf
  478. Cu4CO05.last.xyz
  479. Cu4CO05.out
  480. Cu4CO05.xyz
  481. Cu4CO05_Cfr.com
  482. Cu4CO05Alpha.cube
  483. Cu4CO05Beta.cube
  484. Cu4CO05Density.cube
  485. Cu4CO05Homo.cube
  486. Cu4CO05Lumo.cube
  487. Cu4CO05Potential.cube
  488. Cu4CO05Spin.cube
  489. Cu4CO05TD.fchk
  490. Cu4CO05TD.gjf
  491. Cu4CO05TD.out
  492. Cu4CO05TDAlpha.cube
  493. Cu4CO05TDBeta.cube
  494. Cu4CO05TDDensity.cube
  495. Cu4CO05TDHomo.cube
  496. Cu4CO05TDLumo.cube
  497. Cu4CO05TDPotential.cube
  498. Cu4CO05TDSpin.cube
  499. Cu4CO06.fchk
  500. Cu4CO06TD.fchk
  501. Cu4CO07.fchk
  502. Cu4CO07TD.fchk
  503. Cu4CO08.fchk
  504. Cu4CO08_001.fchk
  505. Cu4CO08_001TD.fchk
  506. Cu4CO08TD.fchk
  507. Cu4CO09.fchk
  508. Cu4CO09_001.fchk
  509. Cu4CO09_001TD.fchk
  510. Cu4CO0A.fchk
  511. Cu4CO0A_001.fchk
  512. Cu4CO0B.fchk
  513. Cu4CO0B_001.fchk
  514. Cu4COCu4_001.fchk

    Cu5CO, Z=0

  515. Cu5CO01.fchk
  516. Cu5CO01_001.fchk
  517. Cu5CO01_002.fchk
  518. Cu5CO01_002TD.fchk
  519. Cu5CO02.fchk
  520. Cu5CO02_001.fchk
  521. Cu5CO02_002.fchk
  522. Cu5CO02_002TD.fchk
  523. Cu5CO03.fchk
  524. Cu5CO03_001.fchk
  525. Cu5CO03_002.fchk
  526. Cu5CO03_003.fchk
  527. Cu5CO03_003TD.fchk
  528. Cu5CO03_004.fchk
  529. Cu5CO03_004TD.fchk
  530. Cu5CO04.fchk
  531. Cu5CO04_001.fchk
  532. Cu5CO05.fchk
  533. Cu5CO05_001.fchk
  534. Cu5CO06.fchk
  535. Cu5CO07.fchk
  536. Cu5CO07_001.fchk
  537. Cu5CO08.fchk
  538. Cu5CO08_001.fchk
  539. Cu5CO09.fchk
  540. Cu5CO09_001.fchk
  541. Cu5CO0A.fchk
  542. Cu5CO0A_001.fchk
  543. Cu5CO0B_001.fchk
  544. Cu5CO0B_002.fchk

    Cu6CO, Z=0

  545. Cu6CO001aTD.fchk
  546. Cu6CO01.fchk
  547. Cu6CO01_001TD.fchk
  548. Cu6CO01a.fchk
  549. Cu6CO02.fchk
  550. Cu6CO02_001.fchk
  551. Cu6CO02_002.fchk
  552. Cu6CO02_002TD.fchk
  553. Cu6CO02_003.fchk
  554. Cu6CO03.fchk
  555. Cu6CO03_001.fchk
  556. Cu6CO03_002.fchk
  557. Cu6CO03_002TD.fchk
  558. Cu6CO04.fchk
  559. Cu6CO04_001.fchk
  560. Cu6CO04_002.fchk
  561. Cu6CO04_003.fchk
  562. Cu6CO04_003TD.fchk
  563. Cu6CO05.fchk
  564. Cu6CO05_001.fchk
  565. Cu6CO05_002.fchk
  566. Cu6CO05_002TD.fchk
  567. Cu6CO06.fchk
  568. Cu6CO06_001.fchk
  569. Cu6CO06_002.fchk
  570. Cu6CO06_002TD.fchk
  571. Cu6CO07.fchk
  572. Cu6CO07_001.fchk
  573. Cu6CO07_002.fchk
  574. Cu6CO07_003.fchk
  575. Cu6CO07_004TD.fchk
  576. Cu6CO08.fchk
  577. Cu6CO08_001.fchk
  578. Cu6CO08_002.fchk
  579. Cu6CO08_002TD.fchk
  580. Cu6CO09.fchk
  581. Cu6CO09TD.fchk
  582. Cu6CO0A.fchk
  583. Cu6CO0B.fchk
  584. Cu6CO0B_001.fchk
  585. Cu6CO0C.fchk
  586. Cu6CO0C_001.fchk
  587. Cu6CO0C_001TD.fchk
  588. Cu6CO0D.fchk
  589. Cu6CO0D_001.fchk

    Cu7CO, Z=0

  590. Cu7CO01.fchk
  591. Cu7CO01TD.fchk
  592. Cu7CO02.dic
  593. Cu7CO02.fchk
  594. Cu7CO02.gjf
  595. Cu7CO02.last.xyz
  596. Cu7CO02.out
  597. Cu7CO02_Cfr.com
  598. Cu7CO02Alpha.cube
  599. Cu7CO02Beta.cube
  600. Cu7CO02Density.cube
  601. Cu7CO02Homo.cube
  602. Cu7CO02Lumo.cube
  603. Cu7CO02Potential.cube
  604. Cu7CO02Spin.cube
  605. Cu7CO03.dic
  606. Cu7CO03.fchk
  607. Cu7CO03.gjf
  608. Cu7CO03.last.xyz
  609. Cu7CO03.out
  610. Cu7CO03_Cfr.com
  611. Cu7CO03Alpha.cube
  612. Cu7CO03Beta.cube
  613. Cu7CO03Density.cube
  614. Cu7CO03Homo.cube
  615. Cu7CO03Lumo.cube
  616. Cu7CO03Potential.cube
  617. Cu7CO03Spin.cube
  618. Cu7CO04.dic
  619. Cu7CO04.fchk
  620. Cu7CO04.gjf
  621. Cu7CO04.last.xyz
  622. Cu7CO04.out
  623. Cu7CO04_Cfr.com
  624. Cu7CO04Alpha.cube
  625. Cu7CO04Beta.cube
  626. Cu7CO04Density.cube
  627. Cu7CO04Homo.cube
  628. Cu7CO04Lumo.cube
  629. Cu7CO04Potential.cube
  630. Cu7CO04Spin.cube
  631. Cu7CO05.dic
  632. Cu7CO05.fchk
  633. Cu7CO05.gjf
  634. Cu7CO05.last.xyz
  635. Cu7CO05.out
  636. Cu7CO05_Cfr.com
  637. Cu7CO05Alpha.cube
  638. Cu7CO05Beta.cube
  639. Cu7CO05Density.cube
  640. Cu7CO05Homo.cube
  641. Cu7CO05Lumo.cube
  642. Cu7CO05Potential.cube
  643. Cu7CO05Spin.cube
  644. Cu7CO06.dic
  645. Cu7CO06.fchk
  646. Cu7CO06.gjf
  647. Cu7CO06.last.xyz
  648. Cu7CO06.out
  649. Cu7CO06_Cfr.com
  650. Cu7CO06Alpha.cube
  651. Cu7CO06Beta.cube
  652. Cu7CO06Density.cube
  653. Cu7CO06Homo.cube
  654. Cu7CO06Lumo.cube
  655. Cu7CO06Potential.cube
  656. Cu7CO06Spin.cube
  657. Cu7CO0E.fchk
  658. Cu7CO0E_001.fchk
  659. Cu7CO0E_002.fchk
  660. Cu7CO0F.fchk
  661. Cu7CO0F_001.fchk

    662. Cu8CO, Z=0

  662. Cu8CO01.dic
  663. Cu8CO01.fchk
  664. Cu8CO01.gjf
  665. Cu8CO01.last.xyz
  666. Cu8CO01.out
  667. Cu8CO01__Cfr.com
  668. Cu8CO01_001.fchk
  669. Cu8CO01_001.gjf
  670. Cu8CO01_001.out
  671. Cu8CO01_002.dic
  672. Cu8CO01_002.gjf
  673. Cu8CO01_002.last.xyz
  674. Cu8CO01_002.out
  675. Cu8CO01_Cfr.com
  676. Cu8CO02.dic
  677. Cu8CO02.fchk
  678. Cu8CO02.gjf
  679. Cu8CO02.last.xyz
  680. Cu8CO02.out
  681. Cu8CO02__Cfr.com
  682. Cu8CO02_001.fchk
  683. Cu8CO02_001.gjf
  684. Cu8CO02_001.out
  685. Cu8CO02_001Alpha.cube
  686. Cu8CO02_001Beta.cube
  687. Cu8CO02_001Density.cube
  688. Cu8CO02_001Homo.cube
  689. Cu8CO02_001Lumo.cube
  690. Cu8CO02_001Potential.cube
  691. Cu8CO02_001Spin.cube
  692. Cu8CO02_002.dic
  693. Cu8CO02_002.gjf
  694. Cu8CO02_002.last.xyz
  695. Cu8CO02_002.out
  696. Cu8CO02_Cfr.com
  697. Cu8CO03.fchk
  698. Cu8CO03.gjf
  699. Cu8CO03.out
  700. Cu8CO03_001.dic
  701. Cu8CO03_001.gjf
  702. Cu8CO03_001.last.xyz
  703. Cu8CO03_001.out
  704. Cu8CO03Alpha.cube
  705. Cu8CO03Beta.cube
  706. Cu8CO03Density.cube
  707. Cu8CO03Homo.cube
  708. Cu8CO03Lumo.cube
  709. Cu8CO03Potential.cube
  710. Cu8CO03Spin.cube
  711. Cu8CO04.fchk
  712. Cu8CO04.gjf
  713. Cu8CO04.out
  714. Cu8CO04_001.dic
  715. Cu8CO04_001.gjf
  716. Cu8CO04_001.last.xyz
  717. Cu8CO04_001.out
  718. Cu8CO04Alpha.cube
  719. Cu8CO04Beta.cube
  720. Cu8CO04Density.cube
  721. Cu8CO04Homo.cube
  722. Cu8CO04Lumo.cube
  723. Cu8CO04Potential.cube
  724. Cu8CO04Spin.cube
  725. Cu8CO05.fchk
  726. Cu8CO05.gjf
  727. Cu8CO05.out
  728. Cu8CO05_001.dic
  729. Cu8CO05_001.gjf
  730. Cu8CO05_001.last.xyz
  731. Cu8CO05_001.out
  732. Cu8CO05Alpha.cube
  733. Cu8CO05Beta.cube
  734. Cu8CO05Density.cube
  735. Cu8CO05Homo.cube
  736. Cu8CO05Lumo.cube
  737. Cu8CO05Potential.cube
  738. Cu8CO05Spin.cube

    739. Cu8 #6

    Cu8CO06_001TDs.jpgCu8CO06_001TDs.jpgHOMO, Alpha MO=83
  739. Cu8CO06.fchk
  740. Cu8CO06.gjf
  741. Cu8CO06.out
  742. Cu8CO06_001.dic
  743. Cu8CO06_001.gjf
  744. Cu8CO06_001.last.xyz
  745. Cu8CO06_001.out
  746. Cu8CO06_001TD.dic
  747. Cu8CO06_001TD.fchk
  748. Cu8CO06_001TD.gjf
  749. Cu8CO06_001TD.last.xyz
  750. Cu8CO06_001TD.out
  751. Cu8CO06_001TDAlpha.cube
  752. Cu8CO06_001TDBeta.cube
  753. Cu8CO06_001TDDensity.cube
  754. Cu8CO06_001TDHomo.cube
  755. Cu8CO06_001TDLumo.cube
  756. Cu8CO06_001TDPotential.cube
  757. Cu8CO06_001TDSpin.cube
  758. Cu8CO06Alpha.cube
  759. Cu8CO06Beta.cube
  760. Cu8CO06Density.cube
  761. Cu8CO06Homo.cube
  762. Cu8CO06Lumo.cube
  763. Cu8CO06Potential.cube
  764. Cu8CO06Spin.cube

    Cu8 #8

    Cu8CO08_01_01s.jpgCu8CO08_01_02s.jpgHOMO, Alpha MO=83
  765. Cu8CO08.fchk
  766. Cu8CO08_01.fchk
  767. Cu8CO09.fchk
  768. Cu8CO09_01.fchk
  769. Cu8CO0X.fchk
  770. Cu8CO0X_001.fchk
  771. Cu8CO0X_002.fchk
  772. Cu8COC3v.fchk
  773. Cu8COC3v_001.fchk
  774. Cu8COC3v_002.fchk

    775. Cu9CO, Z=0

  775. Cu9CO01.fchk
  776. Cu9CO02.fchk
  777. Cu9CO02_001.fchk
  778. Cu9CO04.fchk
  779. Cu9CO05.fchk

    780. Cu9CO, Z=0 #6

    Cu9CO06_003_01s.jpgCu9CO06_003_02s.jpg
  780. Cu9CO06.fchk
  781. Cu9CO06_001.fchk
  782. Cu9CO06_003.fchk
  783. Cu9CO07.fchk
  784. Cu9CO08.fchk
  785. Cu9CO09.fchk
  786. Cu9CO09_001.fchk
  787. Cu9CO0A.fchk
  788. Cu9CO0A_001.fchk
  789. Cu9CO0A_002.fchk
  790. Cu9CO0A_004.fchk
  791. Cu9CO0B.fchk
  792. Cu9CO0B_002.fchk
  793. Cu9CO0C.fchk
  794. Cu9CO0C_001.fchk
  795. Cu9CO0D.fchk
  796. Cu9CO0D_001.fchk
  797. Cu9CO0E.fchk
  798. Cu9CO0E_001.fchk
  799. Cu9CO0X.fchk
  800. Cu9CO0X_001.fchk
  801. Cu9CO0Y.fchk
  802. Cu9CO0Y_001.fchk

    803. Cu10CO, Z=0

  803. CuA2CO002.fchk
  804. CuA2CO002_001.fchk
  805. CuA2CO002_002.fchk
  806. CuA2CO01.fchk
  807. CuA2CO01_01.fchk
  808. CuA2CO01_02.fchk
  809. CuA2CO01_03.fchk
  810. CuA2COm1001.fchk
  811. CuA2COm1001_01.fchk
  812. CuA2COm1001_02.fchk
  813. CuA2COm1001_03.fchk
  814. CuACO01.fchk
  815. CuACO01_001.fchk
  816. CuACO01_002.fchk
  817. CuACO01_004.fchk
  818. CuACO02.fchk
  819. CuACO02_001.fchk
  820. CuACO02_003.fchk
  821. CuACO03.fchk
  822. CuACO03_001.fchk
  823. CuACO03_003.fchk
  824. CuACO04.fchk
  825. CuACO04_001.fchk
  826. CuACO05.fchk
  827. CuACO05_001.fchk
  828. CuACO06.fchk
  829. CuACO06_001.fchk
  830. CuACO07.fchk
  831. CuACO07_001.fchk
  832. CuACO08.fchk
  833. CuACO09.fchk
  834. CuACO09_001.fchk
  835. CuACOC4v.fchk
  836. CuACOC4v_001.fchk
  837. CuACOC4v_002.fchk

    838. Cu11CO, Z=0

  838. CuBCO01.fchk
  839. CuBCO01_001.fchk
  840. CuBCO01_002.fchk

    841. Cu CO1, Z=0

  841. CuCO1.dic
  842. CuCO1.fchk
  843. CuCO1.gjf
  844. CuCO1.last.xyz
  845. CuCO1.out
  846. CuCO1_Cfr.com
  847. CuCO1Alpha.cube
  848. CuCO1Beta.cube
  849. CuCO1Density.cube
  850. CuCO1freq.fchk
  851. CuCO1freq.gjf
  852. CuCO1freq.out
  853. CuCO1freqAlpha.cube
  854. CuCO1freqBeta.cube
  855. CuCO1freqDensity.cube
  856. CuCO1freqHomo.cube
  857. CuCO1freqLumo.cube
  858. CuCO1freqPotential.cube
  859. CuCO1freqSpin.cube
  860. CuCO1Homo.cube
  861. CuCO1Lumo.cube
  862. CuCO1Potential.cube
  863. CuCO1Spin.cube

    864. Cu CO2, Z=0

  864. CuCO2.dic
  865. CuCO2.fchk
  866. CuCO2.gjf
  867. CuCO2.last.xyz
  868. CuCO2.out
  869. CuCO2_02.dic
  870. CuCO2_02.gjf
  871. CuCO2_02.last.xyz
  872. CuCO2_02.out
  873. CuCO2_02_Cfr.com
  874. CuCO2_Cfr.com

    875. Cu CO4, Z=0

  875. CuCO4UFF.dic
  876. CuCO4UFF.fchk
  877. CuCO4UFF.gjf
  878. CuCO4UFF.last.xyz
  879. CuCO4UFF.out
  880. CuCO4UFF.xyz

    881. Cu CO7, Z=0

  881. CuCO7UFF.dic
  882. CuCO7UFF.fchk
  883. CuCO7UFF.gjf
  884. CuCO7UFF.last.xyz
  885. CuCO7UFF.out
  886. CuCO7UFF.xyz

    887. Cu CO8, Z=0

  887. CuCO8UFF.dic
  888. CuCO8UFF.fchk
  889. CuCO8UFF.gjf
  890. CuCO8UFF.last.xyz
  891. CuCO8UFF.out
  892. CuCO8UFF.xyz

    893. (Cu CO)9, Z=0

    CuCO9UFFs.jpg
  893. CuCO9UFF.dic
  894. CuCO9UFF.fchk
  895. CuCO9UFF.gjf
  896. CuCO9UFF.last.xyz
  897. CuCO9UFF.out
  898. CuCO9UFF.xyz
  899. CuCOpolyhedrol.fchk
  900. CuCOpolyhedrol_001.fchk
  901. CuCOpolyhedrol_002.fchk
  902. CuECO01.fchk
  903. CuECO01_001.fchk
  904. CuECO01_002.fchk
  905. CuECO01_003.fchk
  906. filelisting.txt
  907. graphen.fchk
  908. graphen_001.fchk
  909. graphen_002.fchk
  910. OCCu5.fchk
  911. OCCu5_002.fchk
  912. OCCu5_003.fchk
  913. OCCu5_004.fchk
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