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The Effective Fragment Potential Method: A QM-Based MM Approach to Modeling Environmental Effects in Chemistry

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-01, Vol.105 (2), p.293-307

2001

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Use of the Laryngeal Mask Airway in patients positioned prone for short surgical cases in an ambulatory surgery unit in the United States

Journal of clinical anesthesia, 2008-09, Vol.20 (6), p.487-488

2008

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Effective core potential methods for the lanthanides

The Journal of chemical physics, 1993-04, Vol.98 (7), p.5555-5565

1993

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An effective fragment method for modeling solvent effects in quantum mechanical calculations

The Journal of chemical physics, 1996-08, Vol.105 (5), p.1968-1986

1996

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Evaluation of charge penetration between distributed multipolar expansions

The Journal of chemical physics, 2000-05, Vol.112 (17), p.7300-7306

2000

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Beyond Margin Status: Population-Based Validation of the Proposed International Association for the Study of Lung Cancer Residual Tumor Classification Recategorization

Journal of thoracic oncology, 2020-03, Vol.15 (3), p.371-382

2020

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Beyond Margin Status: Population-Based Validation of the Proposed IASLC Residual Tumor Classification Re-categorization

Journal of thoracic oncology, 2019-11, Vol.15 (3), p.371-382

2019

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Lung cancer diagnosed by an incidental lung nodule program or lung cancer screening

Journal of clinical oncology, 2019-05, Vol.37 (15_suppl), p.8546-8546

2019

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Natural history of thyroid abnormalities: Prevalence, incidence, and regression of thyroid diseases in adolescents and young adults

The American journal of medicine, 1991-10, Vol.91 (4), p.363-370

1991

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Compact effective potentials and efficient shared-exponent basis sets for the first- and second-row atoms

The Journal of chemical physics, 1984-12, Vol.81 (12), p.6026-6033

1984

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Transphosphorylation catalyzed by ribonuclease A: computational study using ab initio effective fragment potentials

Journal of the American Chemical Society, 1995-10, Vol.117 (42), p.10537-10545

1995

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Acylation of β-Lactams by Class A β-Lactamase: An ab Initio Theoretical Study on the Effects of the Oxy-Anion Hole

Journal of the American Chemical Society, 1997-07, Vol.119 (27), p.6423-6431

1997

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Second-sphere electrostatic effects in the active site of glutathione S-transferase. Observation of an on-face hydrogen bond between the side chain of threonine 13 and the .pi.-cloud of tyrosine 6 and its influence on catalysis

Journal of the American Chemical Society, 1993-08, Vol.115 (17), p.7910-7911

1993

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The strong hydrogen bond in the formic acid - formate anion system

Journal of the American Chemical Society, 1991-01, Vol.113 (1), p.95-101

1991

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Use of the Laryngeal Mask Airway in patients positioned prone for short surgical cases in an ambulatory surgery unit in the United States: Correspondence

Journal of clinical anesthesia, 2008-08, Vol.20 (6), p.487

2008

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Science and spectroscopy of environmentally important interfaces

Journal of electron spectroscopy and related phenomena, 2006-02, Vol.150 (2-3), p.64-65

2006

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Acylation of β-Lactams by Class A β-Lactamase: An ab Initio Theoretical Study on the Effects of the Oxy-Anion Hole J. Am. Chem. Soc. 1997, 119, 6423−6431

Journal of the American Chemical Society, 1997-10, Vol.119 (43), p.10567-10567

1997

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A natural orbital diagnostic for multiconfigurational character in correlated wave functions

The Journal of chemical physics, 1999-03, Vol.110 (9), p.4199-4207

1999

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Transferability of molecular distributed polarizabilities from a simple localized orbital based method

Journal of physical chemistry (1952), 1989-12, Vol.93 (25), p.8263-8270

1989

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The structure of glycine-water H-bonded complexes

Chemical physics letters, 1990-06, Vol.169 (4), p.275-280

1990

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Apicophilicities of Substituted Oxyphosphoranes: [P(OH)4X, PO-(OH)3X]

Journal of physical chemistry (1952), 1995-03, Vol.99 (13), p.4490-4500

1995

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Frozen fragment reduced variational space analysis of hydrogen bonding interactions. Application to the water dimer

Chemical physics letters, 1987-08, Vol.139 (1), p.15-22

1987

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Fourier transform microwave spectroscopy of jet-cooled ZrO2 produced by laser vaporization

The Journal of chemical physics, 1999-08, Vol.111 (8), p.3526-3535

1999

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Ribonuclease A catalyzed transphosphorylation: An ab initio theoretical study

Journal of physical chemistry (1952), 1995-04, Vol.99 (17), p.6273-6276

1995

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Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

Canadian journal of chemistry, 1992-02, Vol.70 (2), p.612-630

1992

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The Effective Fragment Potential Method: A QM-Based MM Approach to Modeling Environmental Effects in Chemistry

Use of the Laryngeal Mask Airway in patients positioned prone for short surgical cases in an ambulatory surgery unit in the United States

Effective core potential methods for the lanthanides

An effective fragment method for modeling solvent effects in quantum mechanical calculations

Evaluation of charge penetration between distributed multipolar expansions

Beyond Margin Status: Population-Based Validation of the Proposed International Association for the Study of Lung Cancer Residual Tumor Classification Recategorization

Beyond Margin Status: Population-Based Validation of the Proposed IASLC Residual Tumor Classification Re-categorization

Lung cancer diagnosed by an incidental lung nodule program or lung cancer screening

Natural history of thyroid abnormalities: Prevalence, incidence, and regression of thyroid diseases in adolescents and young adults

Compact effective potentials and efficient shared-exponent basis sets for the first- and second-row atoms

Transphosphorylation catalyzed by ribonuclease A: computational study using ab initio effective fragment potentials

Acylation of β-Lactams by Class A β-Lactamase: An ab Initio Theoretical Study on the Effects of the Oxy-Anion Hole

Second-sphere electrostatic effects in the active site of glutathione S-transferase. Observation of an on-face hydrogen bond between the side chain of threonine 13 and the .pi.-cloud of tyrosine 6 and its influence on catalysis

The strong hydrogen bond in the formic acid - formate anion system

Use of the Laryngeal Mask Airway in patients positioned prone for short surgical cases in an ambulatory surgery unit in the United States: Correspondence

Science and spectroscopy of environmentally important interfaces

Acylation of β-Lactams by Class A β-Lactamase: An ab Initio Theoretical Study on the Effects of the Oxy-Anion Hole J. Am. Chem. Soc. 1997, 119, 6423−6431

A natural orbital diagnostic for multiconfigurational character in correlated wave functions

Transferability of molecular distributed polarizabilities from a simple localized orbital based method

The structure of glycine-water H-bonded complexes

Apicophilicities of Substituted Oxyphosphoranes: [P(OH)4X, PO-(OH)3X]

Frozen fragment reduced variational space analysis of hydrogen bonding interactions. Application to the water dimer

Fourier transform microwave spectroscopy of jet-cooled ZrO2 produced by laser vaporization

Ribonuclease A catalyzed transphosphorylation: An ab initio theoretical study

Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

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