| Author | Subject | Date |
| Adrian R. Jaszewski |
| | EPR parameters using ADF package | 2002-02-08 13:54:32 |
| Albert Poater |
| | T41 file/molekel | 2002-03-11 11:30:31 |
| | T41 file/molekel | 2002-03-11 11:23:41 |
| ALBERT POATER TEIXIDOR |
| | RE: ADFcompil/PGF90 | 2002-07-19 11:12:29 |
| | QMMM problem | 2002-07-19 11:43:57 |
| Alessandro Bagno |
| | More on diffuse basis sets | 2002-09-06 09:06:10 |
| | Geometry optimizations | 2002-02-04 11:56:45 |
| Andrey V. Tutukin |
| | S_4 symmetry | 2002-11-06 23:54:00 |
| | Re: ADF Utilities | 2002-04-25 20:11:22 |
| | ADF Utilities | 2002-04-23 20:19:07 |
| | SpinOrbit | 2002-02-25 10:08:06 |
| | Analytical second derivatives. | 2002-02-18 12:15:42 |
| Angel MAÑANES PEREZ |
| | About pkf and dmpkf | 2002-03-06 10:38:29 |
| angelo vargas |
| | END FOUND WITHOUT PRECEDING BLOCK KEY | 2002-07-26 14:23:18 |
| Antonio Aramburu |
| | Help on an ADF error | 2002-07-13 11:26:45 |
| Arjun Mendiratta |
| | adfrom on os x | 2002-07-08 21:15:16 |
| Bohdan Andriyevsky |
| | Q_1 | 2002-04-15 18:40:19 |
| | Q_1 | 2002-04-15 18:33:04 |
| Catharine Esterhuysen |
| | Fit sets | 2002-09-05 10:33:47 |
| chiara |
| | line 209: 5551 Broken pipe | 2002-12-20 16:44:21 |
| Christian Anthon |
| | adfrom segfaults on recent debian linux | 2002-04-17 11:39:39 |
| Christophe Jardin |
| | CIO_ERROR, using RESPONSE | 2002-03-25 11:10:18 |
| Dave Price |
| | formatted t41 file. | 2002-02-22 15:08:12 |
| David Bryce |
| | occupation in error: sopt1 | 2002-04-29 18:10:06 |
| Dora Sousa |
| | (no subject) | 2002-11-04 18:26:07 |
| Dr. Peter Burger |
| | spin orbit & gradients | 2002-02-12 15:40:18 |
| Ducéré Jean-Marie |
| | Re: esr | 2002-05-24 11:43:17 |
| | (pas d'objet) | 2002-05-24 10:32:05 |
| | esr | 2002-05-23 10:29:15 |
| | gatenq | 2002-05-13 16:05:16 |
| Erik van Lenthe |
| | Re: BAD FIT | 2002-12-17 16:30:11 |
| | Re: BAD FIT | 2002-12-17 12:42:55 |
| | Re: relativistic multiplet states | 2002-09-11 17:34:14 |
| | Re: ZORA basis sets for n-rel calculations? | 2002-07-31 13:24:44 |
| | Re: Meaning of "unrestricted" in spin-orbit calculations? | 2002-07-31 13:02:58 |
| | Re: g tensor, bad eta integrals | 2002-06-12 15:51:51 |
| | Re: (ZORA) basis sets in ADF | 2002-05-17 11:32:52 |
| | Re: density from spin-orbit | 2002-04-18 14:40:52 |
| Espen Tangen |
| | Need some help with ADF | 2002-10-08 14:41:12 |
| | Some trouble | 2002-03-20 11:05:55 |
| Fran Stephens |
| | NMR shift calculation | 2002-08-06 17:44:35 |
| Gianluca Croce |
| | information on QMMM with ADF | 2002-01-23 22:54:02 |
| Glen Akibo-Betts |
| | ASF program | 2002-09-25 16:10:46 |
| | relativistic multiplet states | 2002-09-10 13:37:09 |
| | help with fragments | 2002-04-30 16:54:58 |
| Grant Anderson |
| | ADF List:Block Size too small | 2002-11-29 12:35:19 |
| Gunnar Jeschke |
| | g tensor, bad eta integrals | 2002-06-10 14:50:00 |
| | ADF 2002 EPR/NMR program | 2002-03-28 07:49:43 |
| | EPR/NMR | 2002-03-28 07:58:41 |
| H. Georg Schreckenbach |
| | deuterium shieldings | 2002-12-11 19:06:17 |
| | ZORA basis sets for n-rel calculations? | 2002-07-17 21:13:37 |
| | Grad student and postdoc positions, Montreal QC | 2002-05-23 20:50:41 |
| | (ZORA) basis sets in ADF | 2002-05-16 16:55:19 |
| Hao Wang |
| | Overlap Matrix and Hamiltonian Matrix | 2002-02-19 19:35:40 |
| Henry Chermette |
| | ADFcompil/PGF90 | 2002-07-09 18:04:32 |
| Irina Novozhilova |
| | modifystartpotential help | 2002-10-25 21:05:26 |
| | wrong nr removed | 2002-08-03 00:00:11 |
| | ELF from ADF | 2002-03-07 01:51:38 |
| | construction of atomic orbitals | 2002-02-22 23:35:06 |
| | WARNING: not all arrays were delocated | 2002-02-18 15:58:25 |
| | very small Blocksize | 2002-02-13 23:33:38 |
| Isao TANAKA |
| | Post-Doc position in Kyoto | 2002-10-10 14:24:35 |
| Jayalakshmi |
| | ADF Visualizer | 2002-03-27 23:07:47 |
| Jochen Autschbach |
| | Computational/theoretical chemistry PostDoc or Ph.D. student positions available | 2002-11-27 13:21:39 |
| | Re: occupation in error: sopt1 | 2002-04-29 20:29:15 |
| john mcgrady |
| | PhD studentship available | 2002-03-18 12:58:04 |
| Josep Maria Poblet |
| | Postdoct position | 2002-04-18 18:26:07 |
| Katrin Spiegel |
| | intrapolation error | 2002-12-03 17:41:54 |
| Ke, X. |
| | about MULLIKEN analysis in BNAD | 2002-09-13 13:15:51 |
| kiran boggavarapu |
| | error in TDDFT | 2002-09-24 02:06:13 |
| | Fractional Occupation | 2002-08-01 19:46:54 |
| | vertical ionization potentials for open-shell | 2002-07-09 19:00:28 |
| | Transition Dipole Moments! | 2002-06-18 23:54:46 |
| | excited state optmization | 2002-05-23 21:29:09 |
| | (no subject) | 2002-05-23 21:26:55 |
| | (no subject) | 2002-03-14 21:47:42 |
| | exchange correlation potential | 2002-03-10 11:10:22 |
| Kirk Feindel |
| | Re: poin charge | 2002-08-13 17:54:48 |
| | Cr ZORA(V) and ADF 2000.02 | 2002-06-11 00:13:39 |
| | Locally Dense Basis Sets | 2002-02-27 22:18:04 |
| Kris Harris |
| | Installation success | 2002-03-12 21:37:51 |
| | Installation of ADF 2002.01 | 2002-03-11 23:19:07 |
| | Parallel runs with ADF | 2002-03-06 00:13:37 |
| | Parallel runs with ADF | 2002-03-02 01:08:46 |
| | Installation of ADFPLT | 2002-02-12 06:33:40 |
| Kristian Olsen |
| | internal failure STEIN | 2002-11-19 16:18:35 |
| Li, Jun |
| | RE: Errors in Relativistic Calculation | 2002-05-07 19:07:56 |
| lotfi Belkhiri |
| | Multiplet calculations ! | 2002-09-24 11:00:34 |
| Luo Yi |
| | poin charge | 2002-08-12 09:32:17 |
| M.G. Malott |
| | adf-list archive? | 2002-07-23 19:25:10 |
| Marcel Swart |
| | Re: intrapolation error | 2002-12-03 20:52:07 |
| | Re: ADF List:Block Size too small | 2002-11-29 12:43:24 |
| | Re: To: adf-list@scm.com | 2002-11-11 10:52:41 |
| | Re: QM/MM calculation of light actinides and lanthanides | 2002-11-08 11:41:34 |
| | Beta release of PDB2ADF | 2002-08-05 15:36:52 |
| | Re: ADF bug needs urgent fixing | 2002-08-03 19:20:34 |
| | Re: lone pairs (LP) in QMMM? | 2002-07-26 13:11:04 |
| | Re: END FOUND WITHOUT PRECEDING BLOCK KEY | 2002-07-26 15:09:01 |
| | Re: QMMM problem | 2002-07-23 13:15:55 |
| | Re: ADFcompil/PGF90 | 2002-07-23 13:18:29 |
| | Re: ADF 2002 EPR/NMR program | 2002-03-28 13:13:04 |
| | Re: CIO_ERROR, using RESPONSE | 2002-03-25 11:46:23 |
| | Re: Total Energy | 2002-02-18 22:07:21 |
| | Re: very small Blocksize | 2002-02-14 20:48:47 |
| | Re: information on QMMM with ADF | 2002-01-30 16:50:36 |
| Maximiliano Segala |
| | Total Energy | 2002-02-18 21:05:32 |
| | photoelectrons calculations | 2002-01-30 17:31:53 |
| Michael Atanasov |
| | (no subject) | 2002-09-20 18:23:10 |
| Michael Drummond |
| | SORXR failure in a large frequency run | 2002-03-21 22:51:13 |
| Michael Palmer |
| | ADF LIST: count/projection error in IRC run | 2002-02-25 18:11:37 |
| Michael Patzschke |
| | Total Energy & Potentials | 2002-09-30 23:18:27 |
| mike drew |
| | postdoc position available | 2002-10-09 19:52:11 |
| Miquel Duran i Portas |
| | Computational Chemistry position, University of Girona, Spain | 2002-06-06 22:03:58 |
| Miquel Solà |
| | Post-doctoral position | 2002-02-22 10:41:11 |
| Nathalie Auger |
| | problem | 2002-10-28 14:14:45 |
| | question | 2002-10-28 10:17:13 |
| Nuno A. G. Bandeira |
| | Molekel | 2002-11-22 13:31:41 |
| Olivier Visser |
| | Fwd: BOUNCE adf-list@scm.com: Non-member submission from [Jochen Autschbach <jochen@chemie.uni-erlangen.de>] | 2002-11-21 15:14:43 |
| | ADF 2002.01 - TclTk problem | 2002-03-12 16:33:44 |
| | Re: Parallel runs with ADF | 2002-03-03 11:21:18 |
| owner-adf-list_at_email.domain.hidden |
| | (no subject) | 2002-12-11 15:13:30 |
| Pascal Boulet |
| | timer error from the EXCITATION module | 2002-05-17 16:23:58 |
| Pierre Kennepohl |
| | lone pairs (LP) in QMMM? | 2002-07-25 15:10:59 |
| rauzy cedrick |
| | RE : ASF program | 2002-09-25 16:28:47 |
| Reinaldo Pis Diez |
| | Handling ascii TAPE41 files --> Summary | 2002-05-16 21:16:01 |
| | Handling ascii TAPE41 files | 2002-05-10 19:14:45 |
| Rhonda Torres |
| | viewing results of freq. calc | 2002-03-11 20:56:21 |
| Rob Deeth |
| | ADF bug needs urgent fixing | 2002-08-03 12:17:43 |
| Sabri Messaoudi |
| | wrong order of occupied MO | 2002-05-27 11:04:15 |
| Serguei Patchkovskii |
| | Re: Isotopic shifts in shielding tensors | 2002-12-11 15:40:43 |
| | Meaning of "unrestricted" in spin-orbit calculations? | 2002-07-03 17:00:02 |
| | Re: Analytical second derivatives. | 2002-02-18 15:34:35 |
| Sindre Lillehaug |
| | coordinate dependent optimization? | 2002-02-18 21:26:47 |
| Stan van Gisbergen |
| | Quantum Inorganic Chemistry Conference, April 2003, York, UK | 2002-12-17 17:41:46 |
| | ADF and Molekel | 2002-11-22 15:17:33 |
| | SCM advice: COSMO calculations on symmetric molecules | 2002-11-22 09:43:07 |
| | How to improve ADF performance on modern supercomputers | 2002-11-14 16:23:34 |
| | Re: Optimization in S_4 symmetry | 2002-11-08 15:16:00 |
| | Re: ADF optimization with multiple minima | 2002-11-06 19:15:30 |
| | Dangerous behavior of rm command on recent Linux distributions | 2002-09-13 10:19:45 |
| | Build your own diffuse basis and fit sets for ADF | 2002-09-09 19:02:01 |
| | Re: Fit Sets for diffuse basis sets | 2002-09-05 12:35:34 |
| | Bug in point charge treatment of ADF | 2002-08-27 13:18:08 |
| | Problematic Z-matrix geometry optimizations in ADF | 2002-08-23 15:56:44 |
| | ADF2002.02, ADFview and Windows version | 2002-07-12 13:20:13 |
| | ADF2002 for Mac OS X and Sun, ADF brochure available | 2002-05-10 14:49:40 |
| | ADF news from SCM | 2002-03-20 15:41:50 |
| | new release ADF2002 now available | 2002-03-08 16:14:42 |
| Stener Mauro |
| | density from spin-orbit | 2002-04-11 11:46:44 |
| Stuart Macgregor |
| | Project Studentship Available | 2002-04-30 12:43:45 |
| SZ Knottenbelt |
| | QM-MM error in 2002.01 | 2002-03-20 12:59:36 |
| Timm Essigke |
| | STOP RECEIVED FROM... | 2002-10-10 00:08:33 |
| Tor Johansen |
| | ADF-binary + ADFROM = ? | 2002-02-28 07:44:02 |
| txyang |
| | QM/MM calculation of light actinides and lanthanides | 2002-11-08 05:54:53 |
| Wadepohl |
| | adf: speed w/linux | 2002-04-18 16:47:27 |
| | NICS | 2002-02-13 09:29:15 |
| Wei Haiyan |
| | overlap of SFO | 2002-09-30 02:30:14 |
| | densf | 2002-09-29 20:13:27 |
| | a question | 2002-09-20 02:18:50 |
| Wenge Han |
| | COSMO | 2002-05-03 18:51:56 |
| William J Delfs |
| | Errors in Relativistic Calculation | 2002-05-07 16:34:59 |
| | RAMAN intensities from RESPONSE, cont. | 2002-04-22 08:29:26 |
| | RAMAN Intensitities from RESPONSE | 2002-04-21 23:59:19 |
| Xavi |
| | BAD FIT | 2002-12-12 12:22:04 |
| Yinghua Shen |
| | (no subject) | 2002-11-09 21:58:48 |
| | (no subject) | 2002-11-03 04:21:02 |