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Quantum chemistry-based NMR spin Hamiltonian parameters of GABA for quantitation in magnetic resonance spectroscopy

Physical chemistry chemical physics : PCCP, 2007, Vol.9 (24), p.3098-3103

2007

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Computed Electron Affinity of Carbon Clusters Cn up to n = 20 and Fragmentation Energy of Anions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-08, Vol.106 (31), p.7177-7183

2002

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Pure long-range ion-pair Cs2 molecules

Chemical physics letters, 2001-09, Vol.345 (5-6), p.423-428

2001

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Ab initio and long-range investigation of the Ω (+/−) states of NaK dissociating adiabatically up to Na(3 s 2 S 1/2 ) + K(3 d 2 D 3/2 )

The Journal of chemical physics, 2011-07, Vol.135 (2), p.024309-024309-10

2011

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Structural electric dipole in small ionic nanocrystals

Chemical physics letters, 2003, Vol.367 (3), p.278-283

2003

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Model Potential Calculations for the Ground and Various Excited States of LiNa+

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-01, Vol.105 (1), p.165-168

2001

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Density functional theory (DFT) calculations of the proton nuclear magnetic resonance (NMR) spin-Hamiltonian parameters for serine

Measurement science & technology, 2011-11, Vol.22 (11), p.114015

2011

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Far-wing profile of photoabsorption spectra of Na(3s–3p) atoms perturbed by helium

Journal of physics. B, Atomic, molecular, and optical physics, 2008-09, Vol.41 (17), p.175102-175102 (8)

2008

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The theoretical spin-orbit structure of the RbCs molecule

Journal of physics. B, Atomic, molecular, and optical physics, 2002-03, Vol.35 (6), p.1501-1508

2002

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Density functional theory calculations of the nuclear magnetic resonance spin-Hamiltonian parameters for two polyamines of prostate tissue: spermidine and spermine

Measurement science & technology, 2009-10, Vol.20 (10), p.104024-104024 (8)

2009

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A ligand-field approach for the low-lying states of Ca, Sr and Ba monohalides

Chemical physics, 1993-02, Vol.170 (1), p.11-22

1993

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Electronic structure of BaLi. I. Theoretical study

The Journal of chemical physics, 1994-01, Vol.100 (2), p.938-944

1994

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Theoretical electronic structure of RbCs revisited

Journal of physics. B, Atomic, molecular, and optical physics, 2000-06, Vol.33 (12), p.2307-2316

2000

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Optimization of metabolite basis sets prior to quantitation in magnetic resonance spectroscopy: an approach based on quantum mechanics

Measurement science & technology, 2011-11, Vol.22 (11), p.114020

2011

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Theoretical Study of Mixed Silicon−Lithium Clusters Si n Li p (+) (n = 1−6, p = 1−2)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-05, Vol.110 (18), p.6032-6038

2006

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Theoretical Study of the Electronic Structure of the KRb Molecule

Journal of molecular spectroscopy, 2000-10, Vol.203 (2), p.235-243

2000

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Potential energy curves of 58 states of Li2

Chemical physics, 1999-07, Vol.246 (1-3), p.57-64

1999

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Structure of low-lying electronic states of NdO: Quantum chemical calculations

The Journal of chemical physics, 2006-05, Vol.124 (18), p.184317-184317-6

2006

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Theoretical study of the electronic structure of the LiRb and NaRb molecules

Chemical physics, 2000-05, Vol.256 (1), p.1-6

2000

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Potential Energies, Permanent and Transition Dipole Moments for Numerous Electronic Excited States of NaK

Journal of molecular spectroscopy, 2000-03, Vol.200 (1), p.96-103

2000

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Computed Electron Affinity of Carbon Clusters C n up to n = 20 and Fragmentation Energy of Anions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-08, Vol.106 (31), p.7177-7183

2002

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Static dipolar polarizabilities for various electronic states of alkali atoms

Journal of quantitative spectroscopy & radiative transfer, 2002-08, Vol.75 (1), p.121-128

2002

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Theoretical investigation of the Omega(g,u)(+/-) states of K2 dissociating adiabatically up to K(4p 2P(3/2)) + K(4p 2P(3/2))

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244307-244307

2009

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DFT calculations of 1H chemical shifts, simulated and experimental NMR spectra for sarcosine

Chemical physics letters, 2010-06, Vol.492 (4), p.297-301

2010

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Theoretical study of the electronic structure of the Ba2 molecule

Chemical physics, 1995-11, Vol.200 (1-2), p.63-77

1995

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Quantum chemistry-based NMR spin Hamiltonian parameters of GABA for quantitation in magnetic resonance spectroscopy

Computed Electron Affinity of Carbon Clusters Cn up to n = 20 and Fragmentation Energy of Anions

Pure long-range ion-pair Cs2 molecules

Ab initio and long-range investigation of the Ω (+/−) states of NaK dissociating adiabatically up to Na(3 s 2 S 1/2 ) + K(3 d 2 D 3/2 )

Structural electric dipole in small ionic nanocrystals

Model Potential Calculations for the Ground and Various Excited States of LiNa+

Density functional theory (DFT) calculations of the proton nuclear magnetic resonance (NMR) spin-Hamiltonian parameters for serine

Far-wing profile of photoabsorption spectra of Na(3s–3p) atoms perturbed by helium

The theoretical spin-orbit structure of the RbCs molecule

Density functional theory calculations of the nuclear magnetic resonance spin-Hamiltonian parameters for two polyamines of prostate tissue: spermidine and spermine

A ligand-field approach for the low-lying states of Ca, Sr and Ba monohalides

Electronic structure of BaLi. I. Theoretical study

Theoretical electronic structure of RbCs revisited

Optimization of metabolite basis sets prior to quantitation in magnetic resonance spectroscopy: an approach based on quantum mechanics

Theoretical Study of Mixed Silicon−Lithium Clusters Si n Li p (+) (n = 1−6, p = 1−2)

Theoretical Study of the Electronic Structure of the KRb Molecule

Potential energy curves of 58 states of Li2

Structure of low-lying electronic states of NdO: Quantum chemical calculations

Theoretical study of the electronic structure of the LiRb and NaRb molecules

Potential Energies, Permanent and Transition Dipole Moments for Numerous Electronic Excited States of NaK

Computed Electron Affinity of Carbon Clusters C n up to n = 20 and Fragmentation Energy of Anions

Static dipolar polarizabilities for various electronic states of alkali atoms

Theoretical investigation of the Omega(g,u)(+/-) states of K2 dissociating adiabatically up to K(4p 2P(3/2)) + K(4p 2P(3/2))

DFT calculations of 1H chemical shifts, simulated and experimental NMR spectra for sarcosine

Theoretical study of the electronic structure of the Ba2 molecule

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