Basis set superposition error

Results: 7



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1Theoretical chemistry / Basis set superposition error / Energy minimization / Gaussian / Basis set / Chemistry / Quantum chemistry / Computational chemistry

CP-DRIVER MANUAL 4-Dec-00 Pedro Salvador Dept. of Chemistry, Oakland University, Rochester, Michigan, US

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Source URL: iqc.udg.es

Language: English - Date: 2003-12-15 11:37:37
2JOURNAL OF CHEMICAL PHYSICS  VOLUME 121, NUMBER[removed]NOVEMBER 2004

JOURNAL OF CHEMICAL PHYSICS VOLUME 121, NUMBER[removed]NOVEMBER 2004

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Source URL: dugi-doc.udg.edu

Language: English - Date: 2013-05-13 07:38:26
3BSSE-Free Description of Intermolecular Force Constants in Hydrogen Fluoride and Water Dimers A. BENDE,1,* M. KNAPP-MOHAMMADY,2 S. SUHAI2 1

BSSE-Free Description of Intermolecular Force Constants in Hydrogen Fluoride and Water Dimers A. BENDE,1,* M. KNAPP-MOHAMMADY,2 S. SUHAI2 1

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 11:14:47
4BSSE-Free Description of the Formamide Dimers A. BENDE,1 Á. VIBÓK,1 G. J. HALÁSZ,2 S. SUHAI3 1  University of Debrecen, Department of Theoretical Physics, H-4010 Debrecen, Hungary

BSSE-Free Description of the Formamide Dimers A. BENDE,1 Á. VIBÓK,1 G. J. HALÁSZ,2 S. SUHAI3 1 University of Debrecen, Department of Theoretical Physics, H-4010 Debrecen, Hungary

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 11:15:27
5Ab Initio Study of the Ammonia–Ammonia Dimer: BSSE-Free Structures and Intermolecular Harmonic Vibrational Frequencies ´ . VIBO ´ K,1 G. J. HALA

Ab Initio Study of the Ammonia–Ammonia Dimer: BSSE-Free Structures and Intermolecular Harmonic Vibrational Frequencies ´ . VIBO ´ K,1 G. J. HALA

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 10:47:05
6Theoretical Study of Hydrogen Bonds Between Acetylene and Selected Proton Donor Systems ´ . VIBO ´ K,2 G. J. HALA ´ SZ,3 S. SUHAI4

Theoretical Study of Hydrogen Bonds Between Acetylene and Selected Proton Donor Systems ´ . VIBO ´ K,2 G. J. HALA ´ SZ,3 S. SUHAI4

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 10:46:39
7BSSE-Corrected Geometry and Harmonic and Anharmonic Vibrational Frequencies of Formamide–Water and Formamide–Formamide Dimers A. BENDE,1,2 S. SUHAI2 1

BSSE-Corrected Geometry and Harmonic and Anharmonic Vibrational Frequencies of Formamide–Water and Formamide–Formamide Dimers A. BENDE,1,2 S. SUHAI2 1

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Source URL: adatbank.transindex.ro

Language: English - Date: 2011-06-28 10:46:16