54:
21:
200:
94:
434:
180:
38:
300:
175:
205:
439:
529:
524:
356:
412:
322:
28:
519:
509:
395:
227:
123:
195:
478:
407:
351:
111:
237:
451:
514:
106:
68:
271:
468:
378:
8:
317:
249:
148:
128:
288:
170:
165:
361:
138:
334:
232:
222:
60:
503:
76:
473:
346:
456:
305:
63:
relating to computational chemistry. You can help by expanding them.
417:
283:
254:
190:
143:
210:
53:
20:
490:
266:
185:
160:
93:
The following 54 pages are in this category, out of 54 total.
422:
133:
390:
373:
201:
Computational chemical methods in solid-state physics
435:Screened Coulomb potentials implicit solvent model
181:Centre for Theoretical and Computational Chemistry
90:Pages in category "Computational chemistry stubs"
501:
301:International Journal of Quantum Chemistry
176:Center for Computational Mass Spectrometry
36:propose new stub templates and categories
95:This list may not reflect recent changes
65:To add an article to this category, use
206:Computer-assisted structure elucidation
502:
440:Stochastic process rare event sampling
357:Modular Chemical Descriptor Language
48:
15:
13:
413:Protein Local Optimization Program
323:Journal of Computational Chemistry
99:
87:
14:
541:
396:ORCA (quantum chemistry program)
52:
19:
228:Density matrix embedding theory
26:This category is maintained by
124:ACES (computational chemistry)
1:
196:Component detection algorithm
88:
7:
530:Computational science stubs
525:Theoretical chemistry stubs
479:Voronoi deformation density
408:Pharmacokinetics simulation
352:Merck molecular force field
112:Template:Chem-software-stub
10:
546:
238:Dynamic Monte Carlo method
452:Tensor Contraction Engine
520:Physical chemistry stubs
107:Template:Compu-chem-stub
29:WikiProject Stub sorting
510:Computational chemistry
59:This category is for
469:Valence bond programs
379:NMR-STAR file format
318:JME Molecule Editor
250:Embedded atom model
149:Avogadro (software)
129:Agilent ChemStation
289:Graffiti (program)
272:Fenske–Hall method
171:CCP4 (file format)
166:Cantera (software)
362:MRC (file format)
139:Atomistix ToolKit
85:
84:
47:
46:
537:
233:Dirac (software)
223:Dalton (program)
80:
72:
56:
49:
43:before creation.
23:
16:
545:
544:
540:
539:
538:
536:
535:
534:
515:Stub categories
500:
499:
498:
497:
496:
495:
483:
461:
444:
427:
400:
383:
366:
339:
327:
310:
293:
276:
259:
242:
215:
153:
116:
86:
74:
69:compu-chem-stub
66:
64:
33:
12:
11:
5:
543:
533:
532:
527:
522:
517:
512:
494:
493:
487:
484:
482:
481:
476:
471:
465:
462:
460:
459:
454:
448:
445:
443:
442:
437:
431:
428:
426:
425:
420:
415:
410:
404:
401:
399:
398:
393:
387:
384:
382:
381:
376:
370:
367:
365:
364:
359:
354:
349:
343:
340:
338:
337:
335:Kekulé Program
331:
328:
326:
325:
320:
314:
311:
309:
308:
303:
297:
294:
292:
291:
286:
280:
277:
275:
274:
269:
263:
260:
258:
257:
252:
246:
243:
241:
240:
235:
230:
225:
219:
216:
214:
213:
208:
203:
198:
193:
188:
183:
178:
173:
168:
163:
157:
154:
152:
151:
146:
141:
136:
131:
126:
120:
117:
115:
114:
109:
103:
101:
100:
91:
83:
82:
57:
45:
44:
24:
9:
6:
4:
3:
2:
542:
531:
528:
526:
523:
521:
518:
516:
513:
511:
508:
507:
505:
492:
489:
488:
485:
480:
477:
475:
472:
470:
467:
466:
463:
458:
455:
453:
450:
449:
446:
441:
438:
436:
433:
432:
429:
424:
421:
419:
416:
414:
411:
409:
406:
405:
402:
397:
394:
392:
389:
388:
385:
380:
377:
375:
372:
371:
368:
363:
360:
358:
355:
353:
350:
348:
345:
344:
341:
336:
333:
332:
329:
324:
321:
319:
316:
315:
312:
307:
304:
302:
299:
298:
295:
290:
287:
285:
282:
281:
278:
273:
270:
268:
265:
264:
261:
256:
253:
251:
248:
247:
244:
239:
236:
234:
231:
229:
226:
224:
221:
220:
217:
212:
209:
207:
204:
202:
199:
197:
194:
192:
189:
187:
184:
182:
179:
177:
174:
172:
169:
167:
164:
162:
159:
158:
155:
150:
147:
145:
142:
140:
137:
135:
132:
130:
127:
125:
122:
121:
118:
113:
110:
108:
105:
104:
102:
98:
96:
89:
78:
70:
62:
61:stub articles
58:
55:
51:
50:
42:
41:
40:
31:
30:
25:
22:
18:
17:
92:
79:}}
75:{{
71:}}
67:{{
37:
35:
27:
474:Verlet list
73:instead of
504:Categories
347:MassMatrix
457:THEMATICS
306:Intracule
418:PyQuante
284:Ghemical
255:EXC code
191:COLUMBUS
144:Autochem
211:COSILAB
34:Please
491:XyMTeX
267:FDMNES
186:CHELPG
161:CADPAC
423:PySCF
134:AMPAC
391:OPLS
374:NAMD
77:stub
39:here
506::
97:.
486:X
464:V
447:T
430:S
403:P
386:O
369:N
342:M
330:K
313:J
296:I
279:G
262:F
245:E
218:D
156:C
119:A
81:.
32:.
Text is available under the Creative Commons Attribution-ShareAlike License. Additional terms may apply.
