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2019: 120

Journal of surgical orthopaedic advances, 2019, Vol.28 (2)

2019

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Ab initio calculation of molar volumes: Comparison with experiment and use in solvation models

Journal of computational chemistry, 1995-03, Vol.16 (3), p.385-394

1995

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Ab initio calculation of reaction energies. III: Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

The Journal of chemical physics, 1984, Vol.81 (4), p.1882-1893

1984

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Ab initio computation of the enthalpies of some gas-phase hydration reactions

Journal of physical chemistry (1952), 1983-08, Vol.87 (17), p.3279-3282

1983

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Ab initio Ehrenfest dynamics

The Journal of chemical physics, 2005-08, Vol.123 (8), p.084106-084106-7

2005

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Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals

The Journal of chemical physics, 2001-06, Vol.114 (22), p.9758-9763

2001

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Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. II. Generalizations based on mass-weighting, idempotency, energy conservation and choice of initial conditions

The Journal of chemical physics, 2001-12, Vol.115 (22), p.10291-10302

2001

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Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

The Journal of chemical physics, 2002-11, Vol.117 (19), p.8694-8704

2002

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Ab initio molecular dynamics: Propagating the density matrix with gaussian orbitals. IV. Formal analysis of the deviations from born-oppenheimer dynamics

Israel journal of chemistry, 2002-12, Vol.42 (2-3), p.191-202

2002

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Ab initio non-relativistic spin dynamics

The Journal of chemical physics, 2014-12, Vol.141 (21), p.214111-214111

2014

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Ab initio non-relativistic spin dynamics

The Journal of chemical physics, 2014-12, Vol.141 (21)

2014

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Ab initio potential energy curve for CH bond dissociation in methane

Chemical physics letters, 1982-06, Vol.89 (2), p.120-125

1982

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Ab initio study of silylene insertion into oxygen-hydrogen bonds. Stability of zwitterionic intermediates

Journal of the American Chemical Society, 1982-06, Vol.104 (13), p.3779-3781

1982

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An ab initio study of the structures and stabilities of the complexes of the bases N2O, CO2, and CO with the acids FH, H+, and Li

International journal of quantum chemistry, 1989-04, Vol.36 (S23), p.371-380

1989

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Absorption and emission spectra in gas-phase and solution using TD-DFT: Formaldehyde and benzene as case studies

Chemical physics letters, 2006-04, Vol.421 (1), p.272-276

2006

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Abstract 5365: Prolonged survival of patients with advanced renal cancer responding to multi-peptide vaccine IMA901 after single-dose cyclophosphamide

Cancer research (Chicago, Ill.), 2012-04, Vol.72 (8_Supplement), p.5365-5365

2012

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Academic retainer medicine: an innovative business model for cross-subsidizing primary care

Academic medicine, 2010-06, Vol.85 (6), p.959-964

2010

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Achieving linear-scaling computational cost for the polarizable continuum model of solvation

Theoretical chemistry accounts, 2004-03, Vol.111 (2-6), p.90-100

2004

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Achieving Linear Scaling for the Electronic Quantum Coulomb Problem

Science (American Association for the Advancement of Science), 1996-01, Vol.271 (5245), p.51-53

1996

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Achieving linear scaling in exchange-correlation density functional quadratures

Chemical physics letters, 1996-07, Vol.257 (3), p.213-223

1996

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Adjunct Ketamine Use in the Management of Severe Ethanol Withdrawal

Critical care medicine, 2018-08, Vol.46 (8), p.e768-e771

2018

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Aging of Hematopoietic Stem Cells Is Driven By Regional Specialization of Marrow Macrophages

Blood, 2017-12, Vol.130 (Suppl_1), p.95-95

2017

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Analysis of the effect of electron correlation on charge density distributions

Journal of physical chemistry (1952), 1992, Vol.96 (2), p.671-679

1992

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2019: 120

Ab initio calculation of molar volumes: Comparison with experiment and use in solvation models

Ab initio calculation of reaction energies. III: Basis set dependence of relative energies on the FH2 and H2CO potential energy surfaces

Ab initio computation of the enthalpies of some gas-phase hydration reactions

Ab initio Ehrenfest dynamics

Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals

Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. II. Generalizations based on mass-weighting, idempotency, energy conservation and choice of initial conditions

Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

Ab initio molecular dynamics: Propagating the density matrix with gaussian orbitals. IV. Formal analysis of the deviations from born-oppenheimer dynamics

Ab initio non-relativistic spin dynamics

Ab initio non-relativistic spin dynamics

Ab initio potential energy curve for CH bond dissociation in methane

Ab initio study of silylene insertion into oxygen-hydrogen bonds. Stability of zwitterionic intermediates

An ab initio study of the structures and stabilities of the complexes of the bases N2O, CO2, and CO with the acids FH, H+, and Li

Absorption and emission spectra in gas-phase and solution using TD-DFT: Formaldehyde and benzene as case studies

Abstract 5365: Prolonged survival of patients with advanced renal cancer responding to multi-peptide vaccine IMA901 after single-dose cyclophosphamide

Academic retainer medicine: an innovative business model for cross-subsidizing primary care

Achieving linear-scaling computational cost for the polarizable continuum model of solvation

Achieving Linear Scaling for the Electronic Quantum Coulomb Problem

Achieving linear scaling in exchange-correlation density functional quadratures

Adjunct Ketamine Use in the Management of Severe Ethanol Withdrawal

Aged marrow macrophages expand platelet-biased hematopoietic stem cells via interleukin-1B

Aged marrow macrophages expand platelet-biased hematopoietic stem cells via Interleukin1B

Aging of Hematopoietic Stem Cells Is Driven By Regional Specialization of Marrow Macrophages

Analysis of the effect of electron correlation on charge density distributions

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