ADF-LIST Archive
2001 by author

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AuthorSubject Date
alejandropardo_at_email.domain.hidden
 deuteration shifts on vibrational frequencies2001-08-31 12:53:21
Alessandro Bagno
 Two questions on the NMR module2001-12-18 10:17:37
Alex Angerhofer
 Re: EFG tensors2001-06-27 17:51:42
Angel MAÑANES PEREZ
 contour plots of orbital densities2001-12-14 19:51:24
Angela
 ADF-LIST [Fwd: unrestricted calculations-output]2001-05-15 11:01:10
 unrestricted calculations-output2001-05-11 16:52:02
angelo vargas
 restart job error2001-06-29 15:11:01
Antonio Aramburu
 Problems with Cu2+ and Ag2+2001-11-21 18:38:29
 Problems using BAND2001-10-26 12:43:25
 optimization problems2001-04-26 10:41:06
bhernan_at_email.domain.hidden
 Number of variables2001-03-27 17:32:07
Carlos Pereira
 Re: compiling ADF on linux2001-10-15 18:02:26
 Re: compiling ADF on linux2001-10-14 16:39:09
Chris Delfs
 Re: ADF2K convergence2001-04-27 00:33:16
Christian Stadler
 ADF-List: RESP charges2001-03-02 16:47:35
Cory Pye
 Re: Frequencies in ADF+COSMO -> Summary2001-07-11 16:46:13
Daniel Bozi
 Problem w Geom. Opt. using ADF2001-08-17 15:29:09
Dave Price
 Getting ADF to work in SMP mode (2 processors on one machine)2001-12-13 15:38:25
 ADF2001 ?2001-11-16 14:58:24
 Response output2001-04-09 17:24:03
 QM/MM error 2- anyone know?2001-03-20 17:06:19
 success with adfplt2001-02-23 11:14:47
 problem with compiling adfplt2001-02-20 14:54:17
 ADFPLT program. Is SCM still in business now Bert has gone?2001-02-19 15:09:01
David Bryce
 CIO_ERROR cio_llwrite: lseek failed (TAPE10,fd=6,rec=524203)2001-12-08 00:08:01
 ZORA NMR shieldings2001-12-06 19:58:25
dbryce
 GframeSymmetrize2001-07-24 18:00:45
 EFG tensors2001-06-27 17:42:57
De Vito David (DIP)
 Solvent effects2001-12-23 07:25:36
 Errorenous message2001-12-28 07:05:04
 Geometry optimisation problem2001-11-21 08:49:23
Demetrio Antonio da Silva Filho
 New ADF user..2001-08-16 04:59:04
Donghai.Sun_at_email.domain.hidden
 Restart Key Words2001-02-10 00:16:26
Dr R J Deeth
 PhD in Computational Chemistry2001-06-21 13:32:13
 ADF2K convergence2001-04-25 17:03:49
Dr. Hatice Can
 (no subject)2001-04-27 10:00:51
Drew McCormack
 Re: compiling ADF on linux2001-10-14 19:30:02
 Re: compiling ADF on linux2001-10-15 02:22:16
Emma O'Grady
 Omitting atomic orbitals2001-04-23 14:17:41
Erik van Lenthe
 Re: NMR symmetry problem2001-12-20 14:50:49
 Re: ESR2001-11-05 14:14:17
 Re: EFG tensors2001-06-28 09:18:56
Evert Jan Baerends
 vacancies at VU, Amsterdam2001-11-13 10:10:05
fan hongjun
 Re: Convergence and Integration]2001-08-07 10:03:22
Georg Schreckenbach
 summary: accuracy of frequencies?2001-03-13 18:24:28
 accuracy of frequencies?2001-02-15 10:57:32
Gunnar Jeschke
 QMMM, electrostatic coupling2001-07-11 08:33:58
Hans Martin Senn
 Re: success with adfplt2001-02-23 19:41:16
Henry Chermette
 NBO analysis2001-01-19 19:03:41
huxiangqian_at_email.domain.hidden
 Does anybody use parallel adf on linux?2001-04-24 11:05:13
Irina Novozhilova
 bad fit2001-11-15 17:05:54
 excited-state calcs in ADF2001-08-16 18:02:03
 excited state calculations2001-06-27 19:01:29
 excited-state calcs in ADF2001-06-14 23:40:09
 help with an ADF example file2001-06-13 04:40:10
Jochen Autschbach
 Re: compiling ADF on linux2001-10-15 02:44:09
 Re: Number of variables2001-03-27 20:47:58
John McGrady
 bbsrc-funded postdoctoral position2001-05-23 18:14:22
Jolly_George_at_email.domain.hidden
 ADF2001-11-15 15:25:30
Jon Cooney
 Mime-Version: 1.02001-08-02 12:27:56
Jonathan McMaster
 ADFROM2001-07-25 16:47:26
Jun Li
 Re: accuracy of frequencies?2001-02-15 15:07:44
kiran boggavarapu
 atom calculations2001-12-13 16:48:36
 (no subject)2001-12-13 16:41:06
 Delta-SCF for excited states2001-11-30 13:07:23
 LB94 key word - abrupt ending!2001-11-28 00:00:58
 Transition Dipole Moments!2001-11-13 11:24:15
Kris Harris
 compiling ADF on linux2001-10-14 07:35:52
 mailing list archive2001-10-14 07:12:41
Kyung-Bin Cho
 Re: ESR2001-11-05 13:13:15
landis
 Computer System Manager Position2001-07-05 16:41:20
Latevi Max LAWSON DAKU
 COSMO+Slaterdeterminant combination in ADF (runtime problem)2001-03-01 10:10:07
Laurens Siebbeles
 PhD student / post-doc position available2001-12-10 14:15:45
Luigi Cavallo
 Re: ADF2K convergence2001-04-26 15:12:20
 Optimization problems2001-04-24 18:49:04
Luo Yi
 freq2001-11-02 02:06:06
Marcel Swart
 Re: CIO_ERROR cio_llwrite: lseek failed (TAPE10,fd=6,rec=524203)2001-12-08 10:06:29
 Re: Problems using BAND2001-10-26 19:43:44
 Re: QMMM, electrostatic coupling2001-07-11 12:23:15
 Re: frequencies for isotopically substituted molecule?2001-05-11 16:25:44
 RE: Does anybody use parallel adf on linux?2001-04-25 17:16:56
 Re: Number of variables2001-03-27 17:58:06
 Re: QM/MM error 2- anyone know?2001-03-20 18:06:46
Mark Saeys
 frequencies for isotopically substituted molecule?2001-05-11 15:37:42
Markus Metz
 Pvm/adf problem on SGI Origin20002001-02-03 18:38:49
Matthias Ullmann
 ADF with MPI on a Linux Cluster2001-03-14 16:02:24
Maximiliano Segala
 ADF in the FreeBSD OS2001-10-01 20:32:24
Meike Reinhold
 CIO_error again2001-07-28 16:04:53
Michael Seth
 Re: Problems using BAND2001-10-26 20:55:34
Olivier Visser
 ADF on SMP machines2001-12-14 14:21:56
 compiling ADF2001-10-22 14:56:17
Reinaldo Pis Diez
 Frequencies in ADF+COSMO -> Summary2001-07-10 21:22:13
 Frequencies in ADF+COSMO2001-06-28 16:43:20
Robert Deeth
 Re: Cu2+ and ADF2001-11-23 10:32:25
Robert Stranger
 Postdoctoral Position in Computational Chemistry2001-12-14 04:37:52
Samia KAHLAL
 (no subject)2001-01-08 10:54:39
SEMPERBA_at_email.domain.hidden
 Chemical/Biological Modeling Position Available2001-12-20 14:48:21
Serguei Patchkovskii
 Re: Two questions on the NMR module2001-12-18 19:27:12
 Re: atom calculations2001-12-13 17:29:44
 Re: compiling ADF on linux2001-10-14 16:33:41
 Re: compiling ADF on linux2001-10-15 15:02:16
 Re: ADF with MPI on a Linux Cluster2001-03-15 17:23:22
Sindre Lillehaug
 Hessian in TAPE212001-10-29 14:57:47
Stan van Gisbergen
 Information from SCM for ADF users2001-12-13 20:07:18
 Re: Response output + DISPER2001-04-11 15:08:59
 Bert te Velde is leaving SCM2001-02-19 15:41:02
Sushilla Knottenbelt
 DFT-ESR marker error2001-03-27 15:45:15
SZ Knottenbelt
 SORXR errors2001-01-22 16:59:03
Thomas A. Spraggins
 RE: Does anybody use parallel adf on linux?2001-04-24 14:23:50
Tom Woo
 RE: ADF2K convergence2001-04-26 14:58:19
 RE: Does anybody use parallel adf on linux?2001-04-25 15:09:24
Tom Ziegler
 PDF in theoretical modeling of olefin polymerization catalysts2001-12-03 14:44:19
 Post-doctoral positions2001-11-07 14:58:24
Valentina Vetere
 SORRY2001-09-20 10:49:07
 (no subject)2001-09-20 10:14:13
Wadepohl
 ESR2001-11-05 10:08:00
 adf & molekel2001-10-16 10:15:16
xhwan
 Re: QM/MM error 2- anyone know?2001-03-21 01:49:15
xianghuai wang
 unrestricted fragment fatal?2001-08-15 18:15:35
 Convergence and Integration2001-08-07 00:36:55
ÑîÐÂÕ÷
 Hello!2001-05-23 03:15:59

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