ADF-LIST Archive
2000 by thread

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SubjectAuthor Date
libpvm [xxxxx]: pvmbeatask() pvmd didn't validate itselfuddin_at_email.domain.hidden2000-12-12 18:57:56
Date: Tue, 12 Dec 2000 12:50:10 +0100fan2000-12-13 14:40:04
hirshfield chargesValentina Vetere2000-12-13 11:14:20
PhD ScholarshipRobert Stranger2000-12-13 07:55:10
ADF performance on a Pentium III PCLouwen, J. (Jaap)2000-12-11 16:36:28
Re: ADF performance on a Pentium III PCStan van Gisbergen2000-12-12 13:56:10
Re: ADF performance on a Pentium III PCGunnar Jeschke2000-12-12 12:57:13
--> Re: ADF performance on a Pentium III PCDr R J Deeth2000-12-14 12:33:51
Lanthanide calculationsDave Price2000-05-20 15:09:05
Re: Lanthanide calculationsJun Li2000-12-07 20:08:19
pvm 3.3.11 + loadleveler on IBM/SP2Ulrich Senn2000-12-06 09:05:37
redirection of TAPE* filesMeike Reinhold2000-12-05 19:17:45
adf-2000.02 + pvm 3.3.11 + loadleveler on IBM/SP2Ulrich Senn2000-12-05 11:27:35
basis and fit setF. Lelj Garolla di Bard2000-12-04 12:06:55
New ADF utilities and Bader's charge density analysis softwareCarles Bo Jane2000-11-29 18:50:43
NMR Calculation with Zora Basisboris le guennic2000-11-28 10:26:41
Problem compiling ADFrom99 on SGIDave Price2000-11-13 12:26:31
ADF ErrorStuart Macgregor2000-11-10 01:21:42
Re: Freq visualisation?Stuart Macgregor2000-11-10 01:13:41
Re: Freq visualisation?Carles Bo Jane2000-11-10 14:32:48
Freq visualisation?Dave Price2000-11-10 12:01:35
Re: Freq visualisation?Carles Bo Jane2000-11-10 13:07:21
Bond orders with ADF?Tom Woo2000-11-06 15:59:45
(no subject)xhwan2000-10-31 08:41:31
Post doc in Inorganic Computational ChemistryDr R J Deeth2000-10-16 13:07:30
(no subject)xhwan2000-10-11 03:51:26
Pt basis set with polarisation functionsMeike Reinhold2000-10-06 16:11:07
cio errors in ADFStan van Gisbergen2000-09-28 17:25:46
(no subject)Karine COSTUAS2000-09-28 16:02:13
Re:Serguei Patchkovskii2000-09-28 17:16:15
Electron smearingEwald Pauwels2000-09-26 13:50:09
CIO_ERROREwald Pauwels2000-09-20 15:17:58
Reply Zoragracia2000-09-20 10:53:12
Re: Reply ZoraDave Price2000-09-20 13:09:54
Zoragracia2000-09-19 17:02:26
QM/MM hybrid potentialWenge Han2000-08-22 01:33:57
Excitation calculationHege Ryeng2000-08-17 10:47:05
Re: Excitation calculationMarcel Swart2000-08-17 11:20:11
Third call : Minisymposium on DFT methods ( ADF )Dr. T. Raaska2000-08-02 12:17:17
Dissociation curves in AdfDr. Reinaldo Pis Diez2000-07-11 20:06:56
Parallel ADFAngel Magnanes Perez2000-07-11 10:55:19
Re: Parallel ADFSerguei Patchkovskii2000-07-11 18:12:50
(no subject)xhwan2000-07-07 07:29:17
Level shift of ADF2.3 and ADF2000Wenge Han2000-06-29 23:29:51
Re: Level shift of ADF2.3 and ADF2000Christian Stadler2000-06-30 10:01:50
Summary: Protonation energiesFrank Glahe AC-III C2-05-329 Tel.37472000-06-23 14:04:59
RE: Protonation energiesFrank Glahe AC-III C2-05-329 Tel.37472000-06-20 13:08:26
Protonation energiesFrank Glahe AC-III C2-05-329 Tel.37472000-06-19 09:33:06
Re: Protonation energiesMarcel Swart2000-06-20 12:52:06
--> Re: Protonation energiesLou Noodleman2000-06-21 19:53:29
--> Re: Protonation energiesLou Noodleman2000-06-21 19:54:07
Re: Protonation energiesSerguei Patchkovskii2000-06-20 17:34:01
COSMOG. Matthias Ullmann2000-06-02 23:16:11
Re: COSMODM Sherman2000-06-06 14:27:17
EPSRC-funded postdoc in computational chemistryJohn McGrady2000-05-25 17:19:21
ADF-Band questionStanislas Remy2000-05-17 17:43:36
manipulating TAPE41 filesPierre Kennepohl2000-04-30 00:17:55
First call: Minisymposium on DFT methods ( ADF )Dr. T. Raaska2000-04-20 08:26:22
PDF Positionziegler_at_email.domain.hidden2000-04-11 19:40:26
Postdoc position in computational chemistryRobert Stranger2000-04-10 09:14:30
for helpxhwan2000-04-10 03:17:56
logfilePhilip Coppens2000-04-04 22:43:24
for Theory used in ADFxhwan2000-03-24 07:45:09
Re: CRYSTALsidoumou mohamed2000-03-08 10:35:13
Postdoctoral Position in Computational ChemistryRobert Stranger2000-03-06 04:40:21
a course how to use ADF ?Maija Lahtela2000-03-02 09:16:52
Posdoc, quantum chemistry, reaction mechanisums, Canada/JapanTomoo Nukada2000-03-01 05:52:25
Warwick Univ: 1/2 day symposium on Comp. Chem. for TM systemsDr R J Deeth2000-02-17 15:25:35
g-tensor output formatPat Carl2000-02-16 21:51:34
Re: g-tensor output formatErik van Lenthe2000-02-17 12:19:30
CRYSTALsidoumou mohamed2000-02-12 14:40:01
Summary: visulisation programs for ADF1999Dave Price2000-01-31 12:30:57
Re: Summary: visulisation programs for ADF1999Peter Howe2000-01-31 15:01:09
SDF_ADF problem...Pierre Kennepohl2000-01-31 02:53:18
EPSRC PhD studentship availableNik Kaltsoyannis2000-01-27 18:27:08
PhD studentshipAntonio Aramburu2000-01-27 20:10:20
PhD studentship availableVicenç Branchadell2000-01-26 17:44:43
Error calculating NH3 frequenciesAlexei Yakovlev2000-01-26 16:22:11
PostDoc positionRodion V. Belosludov2000-01-24 13:22:53
(no subject)Rodion V. Belosludov2000-01-24 09:27:58
Frequencies after deuterationOle.Swang_at_email.domain.hidden2000-01-18 15:24:10
Visualisation of ADF1999 resultsDave Price2000-01-18 15:54:00
R: Visualisation of ADF1999 resultsFrancesco Lelj Garolla2000-01-19 14:26:57
--> Re: COSMOMarcel Swart2000-06-06 14:58:20

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