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Results of search for 'au:"Sylvetsky, Nitai"'
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Alonso, Mercedes
Banerjee, Ambar
Cho, Minsik
De Proft, Frank
Deraet, Xavier
Efremenko, Irena
Eshafi, Sarah
Karton, Amir
Kesharwani, Manoj K
Köhn, Andreas
Manna, Debashree
Martin, Jan M L
Peterson, Kirk A
Santra, Golokesh
Sylvetsky, Nitai
Tew, David P
Woller, Tatiana
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Your search returned 10 results.
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1.
W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods.
[electronic resource]
by
Karton, Amir
Sylvetsky, Nitai
Martin, Jan M L
Publication details:
Journal of computational chemistry
09 2017
In:
Journal of computational chemistry
vol. 38
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2.
Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4.
[electronic resource]
by
Santra, Golokesh
Sylvetsky, Nitai
Martin, Jan M L
Publication details:
The journal of physical chemistry. A
Jun 2019
In:
The journal of physical chemistry. A
vol. 123
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3.
The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes.
[electronic resource]
by
Sylvetsky, Nitai
Kesharwani, Manoj K
Martin, Jan M L
Producer:
20180611
In:
The Journal of chemical physics
vol. 147
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4.
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded Porphyrins.
[electronic resource]
by
Sylvetsky, Nitai
Banerjee, Ambar
Alonso, Mercedes
Martin, Jan M L
Producer:
20200610
In:
Journal of chemical theory and computation
vol. 16
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5.
Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?
[electronic resource]
by
Sylvetsky, Nitai
Peterson, Kirk A
Karton, Amir
Martin, Jan M L
Producer:
20170125
In:
The Journal of chemical physics
vol. 144
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6.
Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets.
[electronic resource]
by
Manna, Debashree
Kesharwani, Manoj K
Sylvetsky, Nitai
Martin, Jan M L
Producer:
20180312
In:
Journal of chemical theory and computation
vol. 13
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7.
The X40×10 Halogen Bonding Benchmark Revisited: Surprising Importance of (n-1)d Subvalence Correlation.
[electronic resource]
by
Kesharwani, Manoj K
Manna, Debashree
Sylvetsky, Nitai
Martin, Jan M L
Producer:
20180305
In:
The journal of physical chemistry. A
vol. 122
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8.
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies.
[electronic resource]
by
Kesharwani, Manoj K
Sylvetsky, Nitai
Köhn, Andreas
Tew, David P
Martin, Jan M L
Producer:
20181023
In:
The Journal of chemical physics
vol. 149
Online resources:
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9.
The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees.
[electronic resource]
by
Cho, Minsik
Sylvetsky, Nitai
Eshafi, Sarah
Santra, Golokesh
Efremenko, Irena
Martin, Jan M L
Producer:
20200423
In:
Chemphyschem : a European journal of chemical physics and physical chemistry
vol. 21
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10.
Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems.
[electronic resource]
by
Woller, Tatiana
Banerjee, Ambar
Sylvetsky, Nitai
Santra, Golokesh
Deraet, Xavier
De Proft, Frank
Martin, Jan M L
Alonso, Mercedes
Publication details:
The journal of physical chemistry. A
Mar 2020
In:
The journal of physical chemistry. A
vol. 124
Online resources:
Available from publisher's website
Availability:
No items available.
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