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Showing below up to 50 results in range #451 to #500.

451. B3LYP (12:50, 20 February 2009)
452. Compare the dipole moment of propene and cyclopropane (12:51, 20 February 2009)
453. Which of them has the lowest energy (12:57, 20 February 2009)
454. See other results (14:53, 20 February 2009)
455. More about the stability of a molecule (11:10, 23 February 2009)
456. It:lectures2 (13:00, 24 February 2009)
457. Mod:organic project (13:55, 24 February 2009)
458. This one is the same but after breaking symmetry (16:28, 27 February 2009)
459. Output file of optimization and frequencies calculation of propene before breaking the symmetry (17:35, 27 February 2009)
460. Other tables (12:05, 4 March 2009)
461. Other methods (15:20, 4 March 2009)
462. The theoretical Background (15:20, 4 March 2009)
463. Some other methods : MPn, CCSD (15:24, 4 March 2009)
464. Find the transition state between the two forms of propene, and check our results...(as usual) (16:28, 4 March 2009)
465. You did not find you case above, you may be did not get imaginary frequency when you ran your optimization+frequencies calculation, so try here. (16:37, 4 March 2009)
466. Why this basis set? (15:00, 5 March 2009)
467. How to use QST3 (15:39, 5 March 2009)
468. How to use QST2 (16:04, 5 March 2009)
469. Use Gaussian website : User's reference online (17:27, 9 March 2009)
470. Do NMR with Gaussian (11:06, 17 March 2009)
471. Some new keywords (10:30, 20 March 2009)
472. I get back the geometry from the log file (15:06, 20 March 2009)
473. The optimizations that I tried ! (15:25, 23 March 2009)
474. Resgrp:comp-photo-dyn/mctdh90.31dv/input (11:03, 24 March 2009)
475. Resgrp:comp-photo-CHD (12:36, 25 March 2009)
476. Resgrp:comp-photo-calculations (11:42, 6 April 2009)
477. First article : Structural and geometrical isomerizations of cyclopropane. Quantum chemical and RRKM calculations (14:00, 6 April 2009)
478. Second article : Structural isomerization of cyclopropane: a new mechanism through propylidene (14:02, 6 April 2009)
479. Frequencies calculations (14:29, 7 April 2009)
480. ONIOM for transition structures (08:25, 15 April 2009)
481. ONIOM for conical intersections (16:35, 15 April 2009)
482. ONIOM for transition states (16:39, 15 April 2009)
483. Resgrp:comp-photo-dyn/mctdh90.31dv/run (17:20, 5 May 2009)
484. Mod:Hunt Research Group/test (13:59, 19 June 2009)
485. How do you create a molecule ? (14:40, 3 July 2009)
486. Why use different theories ? (14:45, 3 July 2009)
487. More explanations about Molecular Mechanics in Gaussian (11:37, 6 July 2009)
488. Optimization of the geometry of the molecule (13:27, 6 July 2009)
489. Mod:Hunt Research Group/w63Cl cpmd (17:08, 7 July 2009)
490. Mod:Hunt Research Group/BmimCl27 (11:12, 8 July 2009)
491. Resgrp:comp-photo-dyn/mctdh90.56dv/install/mac (15:57, 8 July 2009)
492. Mod:Hunt Research Group/interionic (16:58, 8 July 2009)
493. Resgrp:comp-photo-dyn/mctdh90.31dv/install/cluster (10:23, 9 July 2009)
494. Resgrp:comp-photo-dyn/mctdh90.31dv/install (10:24, 9 July 2009)
495. Resgrp:comp-photo-dyn/mctdh90.56dv/install (10:27, 9 July 2009)
496. Resgrp:comp-photo-dyn/mctdh90.56dv (10:30, 9 July 2009)
497. Mod:Hunt Research Group/Windowsfiles (16:25, 10 July 2009)
498. Mod:Hunt Research Group/BmimCl equilibration (12:40, 13 July 2009)
499. Suggestion of a transition state between propene and cyclopropane (14:27, 13 July 2009)
500. Unix reminder (10:43, 14 July 2009)