Theoretical evaluation of atomic charges to be integrated into conformational analyses of neutral lipids.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 211, doi. 10.1002/qua.560460120
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1993 AND VI 46 AND IP 1
Results: 20
1
2
Ab initio determination of polarizabilities per subunit in polymeric systems using the polarization propagator: Application to model hydrogen chains.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 1, doi. 10.1002/qua.560460102
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- Publication type:
- Article
3
Polarization correction of the electrostatic potential for aromatic compounds: Study of the nucleophilic attack.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 127, doi. 10.1002/qua.560460113
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- Article
4
SCF Wave functions for (CuO.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 55, doi. 10.1002/qua.560460106
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- Publication type:
- Article
5
Preliminary theoretical study of perfluorodimethyl ether and its protonated form.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 171, doi. 10.1002/qua.560460117
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- Publication type:
- Article
6
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. fmi, doi. 10.1002/qua.560460101
- Publication type:
- Article
7
The N.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 119, doi. 10.1002/qua.560460112
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- Publication type:
- Article
8
The molecular simulation approach to complex hydrodynamics.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 39, doi. 10.1002/qua.560460105
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- Publication type:
- Article
9
Ab initio investigation of phloroglucinol.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 159, doi. 10.1002/qua.560460116
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- Publication type:
- Article
10
Cluster-size convergence of some physical parameters of bare (Ni.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 87, doi. 10.1002/qua.560460109
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- Publication type:
- Article
11
On the solid state of hydrogen fluoride: A self-consistent crystal field study.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 109, doi. 10.1002/qua.560460111
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- Publication type:
- Article
12
Data parallel large-scale molecular dynamics for liquids.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 27, doi. 10.1002/qua.560460104
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- Publication type:
- Article
13
Electronic states and nature of bonding in the molecule YN by all-electron ab initio.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 145, doi. 10.1002/qua.560460115
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- Publication type:
- Article
14
The structure of n-fold negatively charged C.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 81, doi. 10.1002/qua.560460108
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- Publication type:
- Article
15
Semi-empirical molecular orbital studies of porphine and phthalocyanine derivatives, to simulate their intermolecular interactions.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 191, doi. 10.1002/qua.560460119
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- Publication type:
- Article
16
Ewald summation of multipolar interactions at an arbitrary order on a two-dimensional lattice.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 101, doi. 10.1002/qua.560460110
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- Publication type:
- Article
17
Nonlinear optical properties of organic molecules. XII.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 19, doi. 10.1002/qua.560460103
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- Publication type:
- Article
18
Polysila analogs of aromatic hydrocarbon ions: Structures and energies of Si.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 137, doi. 10.1002/qua.560460114
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- Publication type:
- Article
19
Ab initio studies of crystal field effects. VII. Structure of 2,3-diketopiperazine using a 13-molecule cluster, a calculation involving 1092 basis functions.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 73, doi. 10.1002/qua.560460107
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- Publication type:
- Article
20
Ab initio study of the electronic properties of potential antagonists of the glycine receptor: 1. Transition state of the 2-pyridone · H.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 46, n. 1, p. 183, doi. 10.1002/qua.560460118
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- Publication type:
- Article