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Segmented contracted basis sets for atoms H through Xe: Sapporo-(DK)-nZP sets (n = D, T, Q)

Theoretical chemistry accounts, 2012-02, Vol.131 (2), Article 1124

2012

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Theoretical study on the photoisomerization of azobenzene

The Journal of chemical physics, 2001-10, Vol.115 (16), p.7503-7512

2001

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Ab Initio QM/MM Molecular Dynamics Study on the Excited-State Hydrogen Transfer of 7-Azaindole in Water Solution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-10, Vol.112 (40), p.9675-9683

2008

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Polypharmacy With Common Diseases in Hospitalized Elderly Patients

The American journal of geriatric pharmacotherapy, 2012-04, Vol.10 (2), p.123-128

2012

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Relativistic contracted Gaussian-type basis functions for atoms K through Xe

Chemical physics letters, 2009-10, Vol.481 (4), p.229-233

2009

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Sharing Real-World Accessibility Conditions Using a Smartphone Application by a Volunteer Group

Computers Helping People with Special Needs, p.265-272

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Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from 55Cs to 80Hg

AIP advances, 2015-06, Vol.5 (6), p.067142-067142-10

2015

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Core-valence correlating basis sets for alkali and alkaline earth metal atoms

Theoretical chemistry accounts, 2008-12, Vol.121 (5-6), p.289-295

2008

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Theoretical prediction of noble-gas compounds: Ng-Pd-Ng and Ng-Pt-Ng

The Journal of chemical physics, 2006-10, Vol.125 (15), p.154308-154308-10

2006

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Revised model core potentials for third-row transition–metal atoms from Lu to Hg

Chemical physics letters, 2009-07, Vol.476 (4), p.317-322

2009

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Identification of the Matrix Shift: A Fingerprint for Neutral Neon Complex?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-02, Vol.112 (5), p.1018-1023

2008

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Sapporo-(DKH3)-nZP (n = D, T, Q) sets for the sixth period s-, d-, and p-block atoms

Theoretical chemistry accounts, 2013-05, Vol.132 (5), Article 1363

2013

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Theoretical study of Pt-Ng and Ng-Pt-Ng ( Ng = Ar , Kr , Xe )

The Journal of chemical physics, 2005-11, Vol.123 (20), p.204321-204321-5

2005

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Relativistic correlating basis sets for lanthanide atoms from Ce to Lu

Journal of computational chemistry, 2006-03, Vol.27 (4), p.463-470

2006

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Correlating basis sets for the H atom and the alkali-metal atoms from Li to Rb

Theoretical chemistry accounts, 2003-03, Vol.109 (2), p.85-90

2003

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Ab initio QM/MM excited-state molecular dynamics study of coumarin 151 in water solution

International journal of quantum chemistry, 2009, Vol.109 (10), p.2308-2318

2009

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Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the n pi state

The Journal of chemical physics, 2009-11, Vol.131 (19), p.194306-194306

2009

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Theoretical study of the simplest Xe-containing molecule: HXeH

Chemical physics letters, 2007-09, Vol.446 (1), p.14-19

2007

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Relativistic correlating basis sets for ₅₇La and ₈₉Ac

Journal of computational chemistry, 2010-02, Vol.31 (3), p.497-499

2010

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All‐electron relativistic computations on the low‐lying electronic states, bond length, and vibrational frequency of CeF diatomic molecule with spin–orbit coupling effects

Journal of computational chemistry, 2018-06, Vol.39 (16), p.964-972

2018

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Contracted polarization functions for the atoms Ca, Ga-Kr, Sr, and In-Xe

Theoretical chemistry accounts, 2001-09, Vol.106 (4), p.297-300

2001

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All-electron relativistic spin-orbit multireference computation to elucidate the ground state of CeH

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.27157-27162

2020

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Relativistic correlating basis sets for the sixth-period d-block atoms from Lu to Hg

The Journal of chemical physics, 2004-04, Vol.120 (14), p.6408-6413

2004

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Relativistic correlating basis sets for actinide atoms from ₉₀Th to ₁₀₃Lr

Journal of computational chemistry, 2007-12, Vol.28 (16), p.2511-2516

2007

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Valence and correlating basis sets for the second transition-metal atoms from Y to Cd

Molecular physics, 2003-01, Vol.101 (1-2), p.65-71

2003

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Segmented contracted basis sets for atoms H through Xe: Sapporo-(DK)-nZP sets (n = D, T, Q)

Theoretical study on the photoisomerization of azobenzene

Ab Initio QM/MM Molecular Dynamics Study on the Excited-State Hydrogen Transfer of 7-Azaindole in Water Solution

Polypharmacy With Common Diseases in Hospitalized Elderly Patients

Relativistic contracted Gaussian-type basis functions for atoms K through Xe

Sharing Real-World Accessibility Conditions Using a Smartphone Application by a Volunteer Group

Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from 55Cs to 80Hg

Core-valence correlating basis sets for alkali and alkaline earth metal atoms

Theoretical prediction of noble-gas compounds: Ng-Pd-Ng and Ng-Pt-Ng

Revised model core potentials for third-row transition–metal atoms from Lu to Hg

Identification of the Matrix Shift: A Fingerprint for Neutral Neon Complex?

Sapporo-(DKH3)-nZP (n = D, T, Q) sets for the sixth period s-, d-, and p-block atoms

Theoretical study of Pt-Ng and Ng-Pt-Ng ( Ng = Ar , Kr , Xe )

Relativistic correlating basis sets for lanthanide atoms from Ce to Lu

Correlating basis sets for the H atom and the alkali-metal atoms from Li to Rb

Ab initio QM/MM excited-state molecular dynamics study of coumarin 151 in water solution

Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the n pi state

Theoretical study of the simplest Xe-containing molecule: HXeH

Relativistic correlating basis sets for ₅₇La and ₈₉Ac

All‐electron relativistic computations on the low‐lying electronic states, bond length, and vibrational frequency of CeF diatomic molecule with spin–orbit coupling effects

Contracted polarization functions for the atoms Ca, Ga-Kr, Sr, and In-Xe

All-electron relativistic spin-orbit multireference computation to elucidate the ground state of CeH

Relativistic correlating basis sets for the sixth-period d-block atoms from Lu to Hg

Relativistic correlating basis sets for actinide atoms from ₉₀Th to ₁₀₃Lr

Valence and correlating basis sets for the second transition-metal atoms from Y to Cd

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