| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A general program to calculate moments of the electron density distribution and multipolar interactions
|
Strasburger, K.
|
|
1995
|
19 |
3 |
p. 259-261
3 p.
|
artikel
|
| 2 |
An object-oriented approach to the calculation of the inverse kinetic energy matrix
|
Tomczak, J
|
|
1995
|
19 |
3 |
p. 331-336
6 p.
|
artikel
|
| 3 |
Applicability of commonly used atom-atom type potential energy functions in structural analysis of nucleic acids. The role of electrostatic interactions
|
Rudnicki, Witold R.
|
|
1995
|
19 |
3 |
p. 253-258
6 p.
|
artikel
|
| 4 |
Applications of the adiabatic connection method to conformational equilibria and reactions involving formic acid
|
Andzelm, Jan W.
|
|
1995
|
19 |
3 |
p. 145-154
10 p.
|
artikel
|
| 5 |
A theoretical study of the photoinduced intramolecular proton transfer in 2-(2′-hydroxyphenyl)-imidazoline
|
Jaworski, A.
|
|
1995
|
19 |
3 |
p. 189-197
9 p.
|
artikel
|
| 6 |
Computation of low-frequency normal modes in macromolecules: Improvements to the method of diagonalization in a mixed basis and application to hemoglobin
|
Perahia, David
|
|
1995
|
19 |
3 |
p. 241-246
6 p.
|
artikel
|
| 7 |
Computer-assisted analysis of rotational diffusion fluorescence experiments
|
Szubiakowski, Jacek
|
|
1995
|
19 |
3 |
p. 325-330
6 p.
|
artikel
|
| 8 |
Computer driven apparatus for adsorption measurements
|
Marczewski, Adam W.
|
|
1995
|
19 |
3 |
p. 295-298
4 p.
|
artikel
|
| 9 |
Effective fragment potentials and spectroscopy at enzyme active sites
|
Krauss, M.
|
|
1995
|
19 |
3 |
p. 199-204
6 p.
|
artikel
|
| 10 |
Electron density modeling of large systems using the transferable atom equivalent method
|
Breneman, Curt M.
|
|
1995
|
19 |
3 |
p. 161-173
13 p.
|
artikel
|
| 11 |
Free energy computer simulation in solid state chemistry
|
Kuchta, Bogdan
|
|
1995
|
19 |
3 |
p. 205-208
4 p.
|
artikel
|
| 12 |
Geometrical analysis of structural changes in immunoglobulin domains' transition from native to molten state
|
Roterman, I.
|
|
1995
|
19 |
3 |
p. 247-252
6 p.
|
artikel
|
| 13 |
Microcomputer-controlled electrochemical universal meter
|
Radomski, R.
|
|
1995
|
19 |
3 |
p. 303-323
21 p.
|
artikel
|
| 14 |
NMR-controlled titrations of phosphorus containing acids and bases
|
Ollig, J.
|
|
1995
|
19 |
3 |
p. 287-294
8 p.
|
artikel
|
| 15 |
Novel PC-program-systems for efficient analysis; simulation and iteration of high-resolution 1-D NMR spectra
|
Hägele, G.
|
|
1995
|
19 |
3 |
p. 283-285
3 p.
|
artikel
|
| 16 |
Optimization of spectral band envelopes with the use of variable metric methods
|
Wycisk, G.C.
|
|
1995
|
19 |
3 |
p. 337-342
6 p.
|
artikel
|
| 17 |
Preliminary density functional calculations on the formic acid dimer
|
Chojnacki, Henryk
|
|
1995
|
19 |
3 |
p. 181-185
5 p.
|
artikel
|
| 18 |
Quantitative and qualitative analyses in near infrared analysis of basic compounds in sugar beet leaf
|
Mroczyk, W.B.
|
|
1995
|
19 |
3 |
p. 299-301
3 p.
|
artikel
|
| 19 |
Quantum chemical descriptors for linear solvation energy relationships
|
Lowrey, Alfred H.
|
|
1995
|
19 |
3 |
p. 209-215
7 p.
|
artikel
|
| 20 |
Quantum-classical molecular dynamics and its computer implementation
|
Bała, P.
|
|
1995
|
19 |
3 |
p. 155-160
6 p.
|
artikel
|
| 21 |
Scannet—a spectroscopic multimethod system for computer-assisted structural identification
|
Dȩbska, B.J.
|
|
1995
|
19 |
3 |
p. 269-275
7 p.
|
artikel
|
| 22 |
SpinA-AT and DNMR-SIM — two new PC-programs for analysis and simulation of NMR spectra
|
Fuhler, R.
|
|
1995
|
19 |
3 |
p. 277-282
6 p.
|
artikel
|
| 23 |
Theoretical calculations of heavy-atom isotope effects
|
Paneth, Piotr
|
|
1995
|
19 |
3 |
p. 231-240
10 p.
|
artikel
|
| 24 |
The photo_t-concept: Hard- and software combination for the determination of macroscopic and microscopic dissociation constants
|
Arendt, C.
|
|
1995
|
19 |
3 |
p. 263-268
6 p.
|
artikel
|
| 25 |
The third conference on computers in chemistry 23–26 June 1994, Wroclaw, Poland including the workshop on computational methods for large molecular systems
|
Krauss, Morris
|
|
1995
|
19 |
3 |
p. vii-viii
nvt p.
|
artikel
|
| 26 |
Use of charge sensitivity analysis in testing adequacy of cluster representations of catalytic active sites
|
Nalewajski, Roman F.
|
|
1995
|
19 |
3 |
p. 217-230
14 p.
|
artikel
|
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