| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A theoretical study of substituent effects on the structure of isolated and condensed three-membered rings. A comparison between radicals and parent hydrocarbons
|
Arnaud, Roger
|
|
1998
|
99 |
6 |
p. 411-419
|
article
|
| 2 |
Calculation of macroscopic first- and third-order optical susceptibilities for the benzene crystal
|
Reis, H.
|
|
1998
|
99 |
6 |
p. 384-390
|
article
|
| 3 |
Counterpoise-corrected potential energy surfaces of simple H-bonded systems
|
Hobza, Pavel
|
|
1998
|
99 |
6 |
p. 372-377
|
article
|
| 4 |
Direct subduction of Q-conjugacy representations to give characteristic monomials for combinatorial enumeration
|
Fujita, Shinsaku
|
|
1998
|
99 |
6 |
p. 404-410
|
article
|
| 5 |
Efficient boundary basis functions for time-independent quantum scattering calculations
|
Jang, Hyo Weon
|
|
1998
|
99 |
6 |
p. 420-425
|
article
|
| 6 |
Modification of Guest and Saunders open shell SCF equations to exclude BSSE from molecular interaction calculations
|
Famulari, A.
|
|
1998
|
99 |
6 |
p. 358-365
|
article
|
| 7 |
Relativistic and nonrelativistic finite nucleus optimized double zeta basis sets for the 4p, 5p and 6p elements
|
Dyall, Kenneth G.
|
|
1998
|
99 |
6 |
p. 366-371
|
article
|
| 8 |
The saddle point of the nucleophilic substitution reaction Cl− + CH3Cl: results of large-scale coupled cluster calculations
|
Botschwina, Peter
|
|
1998
|
99 |
6 |
p. 426-428
|
article
|
| 9 |
The structure and energetics of cryolite melts
|
Micov, M.
|
|
1998
|
99 |
6 |
p. 378-383
|
article
|
| 10 |
Towards an order-N DFT method
|
Fonseca Guerra, C.
|
|
1998
|
99 |
6 |
p. 391-403
|
article
|
| 11 |
Use of Digital Object Identifiers
|
,
|
|
1998
|
99 |
6 |
p. 357
|
article
|
Journal description