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Bettens, Ryan P A
Collins, Michael A
Cvitkovic, Milan W
Fan, Yanping
Ho, Junming
Le, Hai-Anh
Lee, Adrian M
Leong, Lai Peng
Ng, Yee-Hong
Ouyang, John F
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Benzoxazoles
Magnetic Resonance Spectroscopy
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Your search returned 17 results.
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1.
Bound state potential energy surface construction: ab initio zero-point energies and vibrationally averaged rotational constants.
[electronic resource]
by
Bettens, Ryan P A
Producer:
20030314
In:
Journal of the American Chemical Society
vol. 125
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2.
Modelling potential energy surfaces for small clusters using Shepard interpolation with Gaussian-form nodal functions.
[electronic resource]
by
Wang, Haina
Bettens, Ryan P A
Producer:
20190221
In:
Physical chemistry chemical physics : PCCP
vol. 21
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3.
Energy-Based Molecular Fragmentation Methods.
[electronic resource]
by
Collins, Michael A
Bettens, Ryan P A
Producer:
20150826
In:
Chemical reviews
vol. 115
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4.
Distributed Multipoles and Energies of Flexible Molecules.
[electronic resource]
by
Le, Hai-Anh
Bettens, Ryan P A
Producer:
20151130
In:
Journal of chemical theory and computation
vol. 7
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5.
Many-Body Basis Set Superposition Effect.
[electronic resource]
by
Ouyang, John F
Bettens, Ryan P A
Producer:
20160310
In:
Journal of chemical theory and computation
vol. 11
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6.
First principles NMR calculations by fragmentation.
[electronic resource]
by
Lee, Adrian M
Bettens, Ryan P A
Producer:
20070802
In:
The journal of physical chemistry. A
vol. 111
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7.
Ab initio NMR chemical-shift calculations based on the combined fragmentation method.
[electronic resource]
by
Tan, Hwee-Jia
Bettens, Ryan P A
Producer:
20131126
In:
Physical chemistry chemical physics : PCCP
vol. 15
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8.
Modelling Water: A Lifetime Enigma.
[electronic resource]
by
Ouyang, John F
Bettens, Ryan P A
Producer:
20151117
In:
Chimia
vol. 69
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9.
A new algorithm for molecular fragmentation in quantum chemical calculations.
[electronic resource]
by
Bettens, Ryan P A
Lee, Adrian M
Producer:
20071128
In:
The journal of physical chemistry. A
vol. 110
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10.
When are Many-Body Effects Significant?
[electronic resource]
by
Ouyang, John F
Bettens, Ryan P A
Producer:
20180129
In:
Journal of chemical theory and computation
vol. 12
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11.
Comparing Vibrationally Averaged Nuclear Shielding Constants by Quantum Diffusion Monte Carlo and Second-Order Perturbation Theory.
[electronic resource]
by
Ng, Yee-Hong
Bettens, Ryan P A
Producer:
20160708
In:
The journal of physical chemistry. A
vol. 120
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12.
Approximating coupled cluster level vibrational frequencies with composite methods.
[electronic resource]
by
Fan, Yanping
Ho, Junming
Bettens, Ryan P A
Producer:
20070724
In:
The journal of physical chemistry. A
vol. 110
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13.
The conformers of hydroxyacetaldehyde.
[electronic resource]
by
Fan, Yanping
Leong, Lai Peng
Bettens, Ryan P A
Producer:
20070802
In:
The journal of physical chemistry. A
vol. 111
Online resources:
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14.
Accurately reproducing ab initio electrostatic potentials with multipoles and fragmentation.
[electronic resource]
by
Le, Hai-Anh
Lee, Adrian M
Bettens, Ryan P A
Producer:
20100301
In:
The journal of physical chemistry. A
vol. 113
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15.
The combined fragmentation and systematic molecular fragmentation methods.
[electronic resource]
by
Collins, Michael A
Cvitkovic, Milan W
Bettens, Ryan P A
Producer:
20150623
In:
Accounts of chemical research
vol. 47
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16.
Trouble with the Many-Body Expansion.
[electronic resource]
by
Ouyang, John F
Cvitkovic, Milan W
Bettens, Ryan P A
Producer:
20151222
In:
Journal of chemical theory and computation
vol. 10
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17.
Combined Fragmentation Method: A Simple Method for Fragmentation of Large Molecules.
[electronic resource]
by
Le, Hai-Anh
Tan, Hwee-Jia
Ouyang, John F
Bettens, Ryan P A
Producer:
20151125
In:
Journal of chemical theory and computation
vol. 8
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