ADF-LIST Archive
2001 by subject

Search:
SubjectAuthor Date
(no subject)
 kiran boggavarapu 2001-12-13 16:41:06
 Valentina Vetere 2001-09-20 10:14:13
 Dr. Hatice Can 2001-04-27 10:00:51
 Samia KAHLAL 2001-01-08 10:54:39
accuracy of frequencies?
 Jun Li 2001-02-15 15:07:44
 Georg Schreckenbach 2001-02-15 10:57:32
ADF
 Jolly_George_at_email.domain.hidden 2001-11-15 15:25:30
adf & molekel
 Wadepohl 2001-10-16 10:15:16
ADF in the FreeBSD OS
 Maximiliano Segala 2001-10-01 20:32:24
ADF on SMP machines
 Olivier Visser 2001-12-14 14:21:56
ADF with MPI on a Linux Cluster
 Serguei Patchkovskii 2001-03-15 17:23:22
 Matthias Ullmann 2001-03-14 16:02:24
ADF-LIST [Fwd: unrestricted calculations-output]
 Angela 2001-05-15 11:01:10
ADF-List: RESP charges
 Christian Stadler 2001-03-02 16:47:35
ADF2001 ?
 Dave Price 2001-11-16 14:58:24
ADF2K convergence
 Chris Delfs 2001-04-27 00:33:16
 Tom Woo 2001-04-26 14:58:19
 Luigi Cavallo 2001-04-26 15:12:20
 Dr R J Deeth 2001-04-25 17:03:49
ADFPLT program. Is SCM still in business now Bert has gone?
 Dave Price 2001-02-19 15:09:01
ADFROM
 Jonathan McMaster 2001-07-25 16:47:26
atom calculations
 Serguei Patchkovskii 2001-12-13 17:29:44
 kiran boggavarapu 2001-12-13 16:48:36
bad fit
 Irina Novozhilova 2001-11-15 17:05:54
bbsrc-funded postdoctoral position
 John McGrady 2001-05-23 18:14:22
Bert te Velde is leaving SCM
 Stan van Gisbergen 2001-02-19 15:41:02
Chemical/Biological Modeling Position Available
 SEMPERBA_at_email.domain.hidden 2001-12-20 14:48:21
CIO_error again
 Meike Reinhold 2001-07-28 16:04:53
CIO_ERROR cio_llwrite: lseek failed (TAPE10,fd=6,rec=524203)
 Marcel Swart 2001-12-08 10:06:29
 David Bryce 2001-12-08 00:08:01
compiling ADF
 Olivier Visser 2001-10-22 14:56:17
compiling ADF on linux
 Jochen Autschbach 2001-10-15 02:44:09
 Drew McCormack 2001-10-14 19:30:02
 Serguei Patchkovskii 2001-10-14 16:33:41
 Serguei Patchkovskii 2001-10-15 15:02:16
 Drew McCormack 2001-10-15 02:22:16
 Carlos Pereira 2001-10-15 18:02:26
 Carlos Pereira 2001-10-14 16:39:09
 Kris Harris 2001-10-14 07:35:52
Computer System Manager Position
 landis 2001-07-05 16:41:20
contour plots of orbital densities
 Angel MAÑANES PEREZ 2001-12-14 19:51:24
Convergence and Integration
 xianghuai wang 2001-08-07 00:36:55
Convergence and Integration]
 fan hongjun 2001-08-07 10:03:22
COSMO+Slaterdeterminant combination in ADF (runtime problem)
 Latevi Max LAWSON DAKU 2001-03-01 10:10:07
Cu2+ and ADF
 Robert Deeth 2001-11-23 10:32:25
Delta-SCF for excited states
 kiran boggavarapu 2001-11-30 13:07:23
deuteration shifts on vibrational frequencies
 alejandropardo_at_email.domain.hidden 2001-08-31 12:53:21
DFT-ESR marker error
 Sushilla Knottenbelt 2001-03-27 15:45:15
Does anybody use parallel adf on linux?
 Marcel Swart 2001-04-25 17:16:56
 Tom Woo 2001-04-25 15:09:24
 Thomas A. Spraggins 2001-04-24 14:23:50
 huxiangqian_at_email.domain.hidden 2001-04-24 11:05:13
EFG tensors
 Erik van Lenthe 2001-06-28 09:18:56
 Alex Angerhofer 2001-06-27 17:51:42
 dbryce 2001-06-27 17:42:57
Errorenous message
 De Vito David (DIP) 2001-12-28 07:05:04
ESR
 Erik van Lenthe 2001-11-05 14:14:17
 Kyung-Bin Cho 2001-11-05 13:13:15
 Wadepohl 2001-11-05 10:08:00
excited state calculations
 Irina Novozhilova 2001-06-27 19:01:29
excited-state calcs in ADF
 Irina Novozhilova 2001-08-16 18:02:03
 Irina Novozhilova 2001-06-14 23:40:09
freq
 Luo Yi 2001-11-02 02:06:06
frequencies for isotopically substituted molecule?
 Marcel Swart 2001-05-11 16:25:44
 Mark Saeys 2001-05-11 15:37:42
Frequencies in ADF+COSMO
 Reinaldo Pis Diez 2001-06-28 16:43:20
Frequencies in ADF+COSMO -> Summary
 Cory Pye 2001-07-11 16:46:13
 Reinaldo Pis Diez 2001-07-10 21:22:13
Geometry optimisation problem
 De Vito David (DIP) 2001-11-21 08:49:23
Getting ADF to work in SMP mode (2 processors on one machine)
 Dave Price 2001-12-13 15:38:25
GframeSymmetrize
 dbryce 2001-07-24 18:00:45
Hello!
 ÑîÐÂÕ÷ 2001-05-23 03:15:59
help with an ADF example file
 Irina Novozhilova 2001-06-13 04:40:10
Hessian in TAPE21
 Sindre Lillehaug 2001-10-29 14:57:47
Information from SCM for ADF users
 Stan van Gisbergen 2001-12-13 20:07:18
LB94 key word - abrupt ending!
 kiran boggavarapu 2001-11-28 00:00:58
mailing list archive
 Kris Harris 2001-10-14 07:12:41
Mime-Version: 1.0
 Jon Cooney 2001-08-02 12:27:56
NBO analysis
 Henry Chermette 2001-01-19 19:03:41
New ADF user..
 Demetrio Antonio da Silva Filho 2001-08-16 04:59:04
NMR symmetry problem
 Erik van Lenthe 2001-12-20 14:50:49
Number of variables
 Jochen Autschbach 2001-03-27 20:47:58
 Marcel Swart 2001-03-27 17:58:06
 bhernan_at_email.domain.hidden 2001-03-27 17:32:07
Omitting atomic orbitals
 Emma O'Grady 2001-04-23 14:17:41
optimization problems
 Antonio Aramburu 2001-04-26 10:41:06
 Luigi Cavallo 2001-04-24 18:49:04
PDF in theoretical modeling of olefin polymerization catalysts
 Tom Ziegler 2001-12-03 14:44:19
PhD in Computational Chemistry
 Dr R J Deeth 2001-06-21 13:32:13
PhD student / post-doc position available
 Laurens Siebbeles 2001-12-10 14:15:45
Post-doctoral positions
 Tom Ziegler 2001-11-07 14:58:24
Postdoctoral Position in Computational Chemistry
 Robert Stranger 2001-12-14 04:37:52
Problem w Geom. Opt. using ADF
 Daniel Bozi 2001-08-17 15:29:09
problem with compiling adfplt
 Dave Price 2001-02-20 14:54:17
Problems using BAND
 Michael Seth 2001-10-26 20:55:34
 Marcel Swart 2001-10-26 19:43:44
 Antonio Aramburu 2001-10-26 12:43:25
Problems with Cu2+ and Ag2+
 Antonio Aramburu 2001-11-21 18:38:29
Pvm/adf problem on SGI Origin2000
 Markus Metz 2001-02-03 18:38:49
QM/MM error 2- anyone know?
 xhwan 2001-03-21 01:49:15
 Marcel Swart 2001-03-20 18:06:46
 Dave Price 2001-03-20 17:06:19
QMMM, electrostatic coupling
 Marcel Swart 2001-07-11 12:23:15
 Gunnar Jeschke 2001-07-11 08:33:58
Response output
 Dave Price 2001-04-09 17:24:03
Response output + DISPER
 Stan van Gisbergen 2001-04-11 15:08:59
restart job error
 angelo vargas 2001-06-29 15:11:01
Restart Key Words
 Donghai.Sun_at_email.domain.hidden 2001-02-10 00:16:26
Solvent effects
 De Vito David (DIP) 2001-12-23 07:25:36
SORRY
 Valentina Vetere 2001-09-20 10:49:07
SORXR errors
 SZ Knottenbelt 2001-01-22 16:59:03
success with adfplt
 Hans Martin Senn 2001-02-23 19:41:16
 Dave Price 2001-02-23 11:14:47
summary: accuracy of frequencies?
 Georg Schreckenbach 2001-03-13 18:24:28
Transition Dipole Moments!
 kiran boggavarapu 2001-11-13 11:24:15
Two questions on the NMR module
 Serguei Patchkovskii 2001-12-18 19:27:12
 Alessandro Bagno 2001-12-18 10:17:37
unrestricted calculations-output
 Angela 2001-05-11 16:52:02
unrestricted fragment fatal?
 xianghuai wang 2001-08-15 18:15:35
vacancies at VU, Amsterdam
 Evert Jan Baerends 2001-11-13 10:10:05
ZORA NMR shieldings
 David Bryce 2001-12-06 19:58:25

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