Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. fmi, doi. 10.1002/qua.560600601
- Publication type:
- Article
Works matching IS 00207608 AND DT 1996 AND VI 60 AND IP 6
Results: 20
1
2
Molecular dynamics study of a new rigidified 18-crown-6 derivative using a QM / MM method.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1133, doi. 10.1002/(SICI)1097-461X(1996)60:6<1133::AID-QUA3>3.0.CO;2-0
- By:
- Publication type:
- Article
3
Enzyme mechanisms with hybrid quantum and molecular mechanical potentials. I. Theoretical considerations.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1189, doi. 10.1002/(SICI)1097-461X(1996)60:6<1189::AID-QUA7>3.0.CO;2-W
- By:
- Publication type:
- Article
4
Direct reaction field force field: A consistent way to connect and combine quantum-chemical and classical descriptions of molecules.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1111, doi. 10.1002/(SICI)1097-461X(1996)60:6<1111::AID-QUA2>3.0.CO;2-2
- By:
- Publication type:
- Article
5
Theoretical representation of solvation in biochemical systems: From discrete solute-solvent interactions to bulk solvation.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1179, doi. 10.1002/(SICI)1097-461X(1996)60:6<1179::AID-QUA6>3.0.CO;2-X
- By:
- Publication type:
- Article
6
A test of the new 'integrated MO + MM' (IMOMM) method for the conformational energy of ethane and n-butane.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1101, doi. 10.1002/(SICI)1097-461X(1996)60:6<1101::AID-QUA1>3.0.CO;2-3
- By:
- Publication type:
- Article
7
List of participants. 1995 Joint NSF-CECAM workshop on combined quantum mechanical and molecular mechanical potentials for simulation of biomolecules.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1097, doi. 10.1002/qua.560600603
- Publication type:
- Article
8
Energy and energy derivatives for molecular solutes: Perspectives of application to hybrid quantum and molecular methods.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1165, doi. 10.1002/(SICI)1097-461X(1996)60:6<1165::AID-QUA5>3.0.CO;2-Y
- By:
- Publication type:
- Article
9
Report for the joint CECAM-NSF planning meeting on hybrid quantum and classical mechanical methods for the simulation of biopolymers in solution (May 9-11, 1995).
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1093, doi. 10.1002/qua.560600602
- By:
- Publication type:
- Article
10
Density functional based parametrization of a valence bond method and its applications in quantum-classical molecular dynamics simulations of enzymatic reactions.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1143, doi. 10.1002/(SICI)1097-461X(1996)60:6<1143::AID-QUA4>3.0.CO;2-#
- By:
- Publication type:
- Article
11
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. fmi, doi. 10.1002/qua.560600601
- Publication type:
- Article
12
Molecular dynamics study of a new rigidified 18-crown-6 derivative using a QM / MM method.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1133, doi. 10.1002/(SICI)1097-461X(1996)60:6<1133::AID-QUA3>3.0.CO;2-0
- By:
- Publication type:
- Article
13
Enzyme mechanisms with hybrid quantum and molecular mechanical potentials. I. Theoretical considerations.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1189, doi. 10.1002/(SICI)1097-461X(1996)60:6<1189::AID-QUA7>3.0.CO;2-W
- By:
- Publication type:
- Article
14
Direct reaction field force field: A consistent way to connect and combine quantum-chemical and classical descriptions of molecules.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1111, doi. 10.1002/(SICI)1097-461X(1996)60:6<1111::AID-QUA2>3.0.CO;2-2
- By:
- Publication type:
- Article
15
Theoretical representation of solvation in biochemical systems: From discrete solute-solvent interactions to bulk solvation.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1179, doi. 10.1002/(SICI)1097-461X(1996)60:6<1179::AID-QUA6>3.0.CO;2-X
- By:
- Publication type:
- Article
16
A test of the new 'integrated MO + MM' (IMOMM) method for the conformational energy of ethane and n-butane.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1101, doi. 10.1002/(SICI)1097-461X(1996)60:6<1101::AID-QUA1>3.0.CO;2-3
- By:
- Publication type:
- Article
17
List of participants. 1995 Joint NSF-CECAM workshop on combined quantum mechanical and molecular mechanical potentials for simulation of biomolecules.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1097, doi. 10.1002/qua.560600603
- Publication type:
- Article
18
Energy and energy derivatives for molecular solutes: Perspectives of application to hybrid quantum and molecular methods.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1165, doi. 10.1002/(SICI)1097-461X(1996)60:6<1165::AID-QUA5>3.0.CO;2-Y
- By:
- Publication type:
- Article
19
Report for the joint CECAM-NSF planning meeting on hybrid quantum and classical mechanical methods for the simulation of biopolymers in solution (May 9-11, 1995).
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1093, doi. 10.1002/qua.560600602
- By:
- Publication type:
- Article
20
Density functional based parametrization of a valence bond method and its applications in quantum-classical molecular dynamics simulations of enzymatic reactions.
- Published in:
- International Journal of Quantum Chemistry, 1996, v. 60, n. 6, p. 1143, doi. 10.1002/(SICI)1097-461X(1996)60:6<1143::AID-QUA4>3.0.CO;2-#
- By:
- Publication type:
- Article